A0A087YNZ7_POEFO Loading...

Maternal embryonic leucine zipper kinase

AlphaFold DB , UniProt , Accession A0A087YNZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 674 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.4Very low42.7Very low232 Ų232137 Ų137100%1.14369%0.692SS**  0136.80-70.4174.7169.300108
2P31.7Very low46Very low123 Ų123130.3 Ų130.380%0.79967%0.673SS**PPolyproline II helixtrans-71.9141.5171.731.2-33.3000110.1
3V34.7Very low49.2Very low151 Ų151125.2 Ų125.292%0.91564%0.644SS**PPolyproline II helixtrans-86.2125.6175.2179.80000108.6
4E33.9Very low52.3Low157 Ų157116.5 Ų116.573%0.73460%0.6SS**PPolyproline II helixtrans-82.2139.1-163.5-71.3-167.1112.700116.2T6E4-T6 PolarHBondContact O-N 2.8Å; E4-T6 PolarHBondContact O-OG1 2.74Å
5K35.8Very low55Low196 Ų196115.4 Ų115.485%0.85259%0.591SS**  trans-3986.9161.8-59.1174.6177.3-177.90113.3
6T37.6Very low57.4Low112 Ų112115.6 Ų115.669%0.68759%0.586SS**  trans-115.6-6.7-177.436.60000114.5E4E4-T6 PolarHBondContact O-N 2.8Å; E4-T6 PolarHBondContact O-OG1 2.74Å
7E39.9Very low59.6Low160 Ų160111.5 Ų111.575%0.74856%0.562SS**SBendtrans-82.2-37.5179.4-58.5-164.912700113.6R9 G10E7-R9 PolarHBondContact O-N 2.7Å; E7-G10 PolarHBondContact O-N 2.69Å
8D49Very low61.7Low120 Ų120105.4 Ų105.464%0.64253%0.531SS*.Hα-helixtrans-58.7-37.3-169.6-93.6-38.1000115.1G10 A11 A12D8-G10 PolarHBondContact O-N 2.63Å; D8-G10 VanDerWaalsContact O-N 3.15Å; D8-A11 PolarHBondContact O-N 3.26Å; D8-A11 VanDerWaalsContact O-N 3.08Å; D8-A12 PolarHBondContact O-N 3.28Å; D8-A12 VanDerWaalsContact O-N 3.12Å
9R50.7Low63.5Low228 Ų228103.5 Ų103.586%0.8652%0.52SS*.Hα-helixtrans-64.1-23.2-175-71.2-169.3-179.5-169.31.9113.3E7E7-R9 PolarHBondContact O-N 2.7Å
10G55.7Low65Low2 Ų299.9 Ų99.92%0.02150%0.504CS..Hα-helixtrans-72.6-41.2173.800000112.4E7 D8 F90E7-G10 PolarHBondContact O-N 2.69Å; D8-G10 PolarHBondContact O-N 2.63Å; D8-G10 VanDerWaalsContact O-N 3.15Å; G10-F90 WeakPolarHBondContact O-CE2 3.45Å; G10-F90 WeakPolarHBondContact O-CZ 3.36Å
11A71.1Confident66.3Low26 Ų2698.7 Ų98.722%0.21549%0.494CS..Hα-helixtrans-71.4-32.1-179.600000112.8D8 E13 L14 H15D8-A11 PolarHBondContact O-N 3.26Å; D8-A11 VanDerWaalsContact O-N 3.08Å; A11-E13 VanDerWaalsContact C-N 3.29Å; A11-E13 PolarHBondContact O-N 3.28Å; A11-L14 WeakPolarHBondContact O-CB 3.21Å; A11-L14 PolarHBondContact O-N 2.56Å; A11-L14 VanDerWaalsContact O-N 3.09Å; A11-H15 PolarHBondContact O-CD2 3.47Å; A11-H15 PolarHBondContact O-N 3.42Å
12A82.1Confident68.7Low56 Ų5690.3 Ų90.346%0.46345%0.452SS..Hα-helixtrans-54-39.7-178.600000113.9D8 H15 K16D8-A12 PolarHBondContact O-N 3.28Å; D8-A12 VanDerWaalsContact O-N 3.12Å; A12-H15 PolarHBondContact O-N 2.83Å; A12-K16 PolarHBondContact O-N 3.41Å
13E87.8Confident71.1Confident64 Ų6486.3 Ų86.330%0.29943%0.425SS..Hα-helixtrans-70.8-36.6178.9-160.661.7-138.400112.4A11 K16 Y17 I83A11-E13 VanDerWaalsContact C-N 3.29Å; A11-E13 PolarHBondContact O-N 3.28Å; E13-K16 WeakPolarHBondContact OE1-CD 3.41Å; E13-K16 WeakPolarHBondContact OE1-CE 3.02Å; E13-K16 IonicContact OE1-NZ 2.7Å; E13-K16 PolarHBondContact OE1-NZ 3.2Å; E13-K16 WeakPolarHBondContact OE2-CE 3.23Å; E13-K16 IonicContact OE2-NZ 2.65Å; E13-K16 PolarHBondContact OE2-NZ 3.44Å; E13-Y17 VanDerWaalsContact O-CD2 3.3Å; E13-Y17 WeakPolarHBondContact O-CD2 3.3Å; E13-Y17 WeakPolarHBondContact O-CE2 3.25Å; E13-I83 HydrophobicContact CB-CG2 4.26Å; E13-I83 HydrophobicContact CG-CG2 3.92Å
14L92.6Very high73.1Confident4 Ų479.7 Ų79.72%0.02139%0.385CS..Hα-helixtrans-65.7-42.1174.9-176.472.6000111.1A11 K16 Y17 Y18 V20 I46 I83 F90A11-L14 WeakPolarHBondContact O-CB 3.21Å; A11-L14 PolarHBondContact O-N 2.56Å; A11-L14 VanDerWaalsContact O-N 3.09Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 3.28Å; L14-Y17 PolarHBondContact O-N 2.65Å; L14-Y17 VanDerWaalsContact O-N 3.12Å; L14-Y18 HydrophobicContact CD1-CD2 3.69Å; L14-Y18 HydrophobicContact CD1-CE2 4.39Å; L14-Y18 HydrophobicContact CD1-CG 4.38Å; L14-Y18 HydrophobicContact CG-CD2 4.38Å; L14-Y18 PolarHBondContact O-N 3.3Å; L14-V20 HydrophobicContact CD2-CG2 3.73Å; L14-V20 HydrophobicContact CG-CG2 4.2Å; L14-I46 HydrophobicContact CD1-CD1 4.34Å; L14-I46 HydrophobicContact CD1-CG2 4.1Å; L14-I46 HydrophobicContact CD2-CD1 4.37Å; L14-I46 HydrophobicContact CD2-CG2 4.12Å; L14-I83 HydrophobicContact CD1-CD1 4Å; L14-F90 HydrophobicContact CB-CE1 4.45Å; L14-F90 HydrophobicContact CB-CZ 4.48Å; L14-F90 HydrophobicContact CD1-CB 4.28Å; L14-F90 HydrophobicContact CD1-CD1 4.24Å; L14-F90 HydrophobicContact CD1-CG 4.25Å; L14-F90 HydrophobicContact CD2-CD1 3.8Å; L14-F90 HydrophobicContact CD2-CE1 3.81Å; L14-F90 HydrophobicContact CG-CD1 4.44Å
15H93.3Very high75Confident100 Ų10072.4 Ų72.446%0.46335%0.352SS..Hα-helixtrans-69.3-18.4-175.9-74.8-53.1000114.8A11 A12 Y17 Y18A11-H15 PolarHBondContact O-CD2 3.47Å; A11-H15 PolarHBondContact O-N 3.42Å; A12-H15 PolarHBondContact O-N 2.83Å; H15-Y17 PolarHBondContact O-N 2.77Å; H15-Y18 PolarHBondContact ND1-O 3.07Å
16K93.2Very high76.5Confident119 Ų11964.8 Ų64.852%0.51732%0.323SS..THydrogen-bonded Turntrans-60.5-26.5168.8-66.3178.8-170169.90113.4A12 E13 L14A12-K16 PolarHBondContact O-N 3.41Å; E13-K16 WeakPolarHBondContact OE1-CD 3.41Å; E13-K16 WeakPolarHBondContact OE1-CE 3.02Å; E13-K16 IonicContact OE1-NZ 2.7Å; E13-K16 PolarHBondContact OE1-NZ 3.2Å; E13-K16 WeakPolarHBondContact OE2-CE 3.23Å; E13-K16 IonicContact OE2-NZ 2.65Å; E13-K16 PolarHBondContact OE2-NZ 3.44Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 3.28Å
17Y95.2Very high77.8Confident46 Ų4660.9 Ų60.918%0.1831%0.305CS..THydrogen-bonded Turntrans-123-24.2-168.9-48.7-57.5000113.1E13 L14 H15 H37 L38 I83 Q319E13-Y17 VanDerWaalsContact O-CD2 3.3Å; E13-Y17 WeakPolarHBondContact O-CD2 3.3Å; E13-Y17 WeakPolarHBondContact O-CE2 3.25Å; L14-Y17 PolarHBondContact O-N 2.65Å; L14-Y17 VanDerWaalsContact O-N 3.12Å; H15-Y17 PolarHBondContact O-N 2.77Å; Y17-H37 PolarHBondContact O-CD2 3.4Å; Y17-H37 VanDerWaalsContact O-CD2 3.26Å; Y17-L38 WeakPolarHBondContact O-CG 3.43Å; Y17-L38 PolarHBondContact O-N 3.29Å; Y17-I83 HydrophobicContact CD2-CD1 4.16Å; Y17-Q319 HydrophobicContact CD1-CB 4.42Å; Y17-Q319 VanDerWaalsContact CD1-CD 3.47Å; Y17-Q319 HydrophobicContact CD1-CG 3.69Å; Y17-Q319 HydrophobicContact CE1-CB 4.24Å; Y17-Q319 HydrophobicContact CE1-CG 3.78Å; Y17-Q319 HydrophobicContact CG-CG 4.35Å
18Y96.9Very high79Confident1 Ų155.4 Ų55.40%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-132.6128.3-174.1-56-82.4000113.1L14 H15 R36 H37 V44 I46 H81 I83 V92L14-Y18 HydrophobicContact CD1-CD2 3.69Å; L14-Y18 HydrophobicContact CD1-CE2 4.39Å; L14-Y18 HydrophobicContact CD1-CG 4.38Å; L14-Y18 HydrophobicContact CG-CD2 4.38Å; L14-Y18 PolarHBondContact O-N 3.3Å; H15-Y18 PolarHBondContact ND1-O 3.07Å; Y18-R36 WeakPolarHBondContact CA-O 3.33Å; Y18-H37 HydrophobicContact CD1-CB 3.98Å; Y18-H37 HydrophobicContact CE1-CB 3.73Å; Y18-H37 AromaticContact CE1-CD2 3.53Å; Y18-H37 AromaticContact CE1-CG 3.94Å; Y18-H37 AromaticContact CZ-CD2 3.83Å; Y18-V44 HydrophobicContact CD1-CG2 3.8Å; Y18-V44 HydrophobicContact CE1-CG2 4.07Å; Y18-I46 HydrophobicContact CG-CD1 4.33Å; Y18-H81 AromaticContact CE2-ND1 3.63Å; Y18-H81 AromaticContact CZ-ND1 3.75Å; Y18-H81 WeakPolarHBondContact OH-CB 3.39Å; Y18-H81 PolarHBondContact OH-ND1 3.13Å; Y18-I83 HydrophobicContact CE2-CD1 4.36Å; Y18-V92 HydrophobicContact CD1-CG1 4.42Å; Y18-V92 HydrophobicContact CD2-CG2 4.39Å; Y18-V92 HydrophobicContact CE1-CG1 3.71Å; Y18-V92 HydrophobicContact CE1-CG2 4.38Å; Y18-V92 HydrophobicContact CE2-CG2 3.84Å
19E95.9Very high80Confident69 Ų6953.7 Ų53.732%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-72.7127.9158.5-163.4-178.6150.600107.2Y21 G35 R36 L38E19-Y21 HydrophobicContact CG-CE1 3.82Å; E19-Y21 WeakPolarHBondContact OE1-CE1 3.48Å; E19-Y21 PolarHBondContact OE1-OH 2.98Å; E19-Y21 PolarHBondContact OE2-OH 3.16Å; E19-G35 CarbonylContact O-C 3.59Å; E19-G35 WeakPolarHBondContact O-CA 3.09Å; E19-R36 HydrophobicContact CB-CB 4.32Å; E19-R36 PolarHBondContact N-O 3.11Å; E19-R36 PolarHBondContact O-N 3.03Å; E19-R36 IonicContact OE1-NH1 2.77Å; E19-R36 WeakPolarHBondContact OE2-CD 3.35Å; E19-R36 IonicContact OE2-CZ 3.96Å; E19-R36 IonicContact OE2-NE 2.64Å; E19-R36 IonicContact OE2-NH1 3.75Å; E19-R36 PolarHBondContact OE2-NH1 2.78Å; E19-L38 HydrophobicContact CB-CD2 3.94Å
20V94.4Very high81.5Confident31 Ų3143.7 Ų43.719%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-120.4128.5-171.5-174.40000109.7L14 K33 I46L14-V20 HydrophobicContact CD2-CG2 3.73Å; L14-V20 HydrophobicContact CG-CG2 4.2Å; V20-K33 HydrophobicContact CG1-CB 4.04Å; V20-K33 HydrophobicContact CG1-CD 3.42Å; V20-K33 VanDerWaalsContact CG1-CD 3.42Å; V20-K33 HydrophobicContact CG1-CG 4.4Å; V20-I46 HydrophobicContact CG2-CD1 4.02Å
21Y90.7Very high82.9Confident76 Ų7648.8 Ų48.830%0.29827%0.266SS..EExtended strand (participates in β ladder)trans-112.1-142.6-172.6-51.6-68.4000111.9E19 L34 R36E19-Y21 HydrophobicContact CG-CE1 3.82Å; E19-Y21 WeakPolarHBondContact OE1-CE1 3.48Å; E19-Y21 PolarHBondContact OE1-OH 2.98Å; E19-Y21 PolarHBondContact OE2-OH 3.16Å; Y21-L34 HydrophobicContact CD2-CB 4.44Å; Y21-L34 HydrophobicContact CD2-CD2 3.95Å; Y21-L34 HydrophobicContact CD2-CG 3.96Å; Y21-L34 PolarHBondContact N-O 3.38Å; Y21-R36 HydrophobicContact CE2-CB 3.76Å; Y21-R36 WeakPolarHBondContact OH-CD 3.43Å
22E81.1Confident83.7Confident56 Ų5649.3 Ų49.326%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-59.6167.3178.766-84.9178.600114.6I24 K33 L34 M564E22-I24 HydrophobicContact CG-CG2 3.99Å; E22-K33 CarbonylContact O-C 3.33Å; E22-K33 WeakPolarHBondContact O-CA 3.29Å; E22-K33 VanDerWaalsContact O-CB 3.3Å; E22-K33 WeakPolarHBondContact O-CB 3.34Å; E22-L34 HydrophobicContact CG-CB 4.47Å; E22-L34 PolarHBondContact O-N 2.82Å; E22-L34 WeakPolarHBondContact OE1-CD2 3.5Å; E22-M564 HydrophobicContact CB-CE 3.67Å; E22-M564 HydrophobicContact CG-CE 3.62Å; E22-M564 HydrophobicContact CG-CG 3.6Å; E22-M564 HydrophobicContact CG-SD 4.5Å
23T81.2Confident84.1Confident38 Ų3849.7 Ų49.723%0.23326%0.258CS..EExtended strand (participates in β ladder)trans-84.7120.6166.2-57.60000109.4G25 S26 K31 V32T23-G25 WeakPolarHBondContact CG2-O 3.28Å; T23-S26 WeakPolarHBondContact CG2-OG 3.39Å; T23-K31 HydrophobicContact CG2-CD 4.27Å; T23-K31 HydrophobicContact CG2-CG 3.68Å; T23-K31 WeakPolarHBondContact OG1-CE 3.21Å; T23-V32 CarbonylContact C-O 3.54Å; T23-V32 WeakPolarHBondContact CA-O 3.46Å; T23-V32 WeakPolarHBondContact CG2-O 3.45Å
24I77.4Confident84.3Confident13 Ų1346.9 Ų46.97%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-100.1-13.5176.760.4177.2000112.8E22 V32 L34 A45 Y95 V561 I562E22-I24 HydrophobicContact CG-CG2 3.99Å; I24-V32 HydrophobicContact CD1-CG1 4.09Å; I24-V32 HydrophobicContact CG1-CB 4.31Å; I24-V32 HydrophobicContact CG1-CG1 3.84Å; I24-V32 PolarHBondContact N-O 2.82Å; I24-L34 HydrophobicContact CD1-CB 4.43Å; I24-L34 HydrophobicContact CG2-CB 3.86Å; I24-A45 HydrophobicContact CD1-CB 4.16Å; I24-Y95 HydrophobicContact CD1-CD2 3.94Å; I24-Y95 HydrophobicContact CD1-CE2 3.89Å; I24-V561 CarbonylContact O-C 3.35Å; I24-V561 WeakPolarHBondContact O-CA 3.15Å; I24-V561 WeakPolarHBondContact O-CG1 3.44Å; I24-I562 PolarHBondContact O-N 3.28Å
25G73.2Confident84.5Confident4 Ų446.7 Ų46.74%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-158.3158.817300000113.2T23 V32 K560T23-G25 WeakPolarHBondContact CG2-O 3.28Å; G25-V32 PolarHBondContact N-O 3.02Å; G25-V32 PolarHBondContact O-N 3.4Å; G25-K560 CarbonylContact C-O 3.48Å; G25-K560 WeakPolarHBondContact CA-O 3.47Å
26S66.9Low84.6Confident36 Ų3645.1 Ų45.125%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-15884.1-174.3-70.60000113.6T23 D559 K560T23-S26 WeakPolarHBondContact CG2-OG 3.39Å; S26-D559 CarbonylContact C-O 3.55Å; S26-K560 PolarHBondContact N-O 2.82Å
27G65.6Low84.8Confident29 Ų2939.4 Ų39.430%0.29921%0.209SC..  trans-82.1-176170.600000113.2F29 A30 G557G27-F29 PolarHBondContact O-N 2.85Å; G27-A30 PolarHBondContact N-O 3.32Å; G27-G557 CarbonylContact C-O 3.49Å; G27-G557 VanDerWaalsContact CA-O 3.27Å; G27-G557 WeakPolarHBondContact CA-O 3.45Å
28G64.7Low84.9Confident46 Ų4640.4 Ų40.447%0.47422%0.217SC..SBendtrans-62.2-38.7-169.300000115.8R556 G557G28-R556 VanDerWaalsContact CA-O 3.29Å; G28-R556 WeakPolarHBondContact CA-O 3.25Å; G28-G557 PolarHBondContact N-O 3.07Å
29F70.9Confident84.8Confident83 Ų8341.1 Ų41.136%0.36422%0.221SC..SBendtrans-119.92.3-176.5-49.4-74.2000113.4G27 D53 L54G27-F29 PolarHBondContact O-N 2.85Å; F29-D53 WeakPolarHBondContact CD1-O 3.26Å; F29-L54 HydrophobicContact CB-CD2 3.81Å; F29-L54 HydrophobicContact CG-CD2 4.37Å
30A81.2Confident84.9Confident19 Ų1937.9 Ų37.916%0.15721%0.206CC..EExtended strand (participates in β ladder)trans-144.2130-168.500000112.2G27 K47 I48 M49G27-A30 PolarHBondContact N-O 3.32Å; A30-K47 HydrophobicContact CB-CG 4.06Å; A30-I48 CarbonylContact C-O 3.58Å; A30-I48 WeakPolarHBondContact CA-O 3.2Å; A30-M49 HydrophobicContact CB-CG 3.68Å; A30-M49 HydrophobicContact CB-SD 4.43Å
31K84.8Confident84.9Confident108 Ų10837.3 Ų37.347%0.4721%0.206SC..EExtended strand (participates in β ladder)trans-110.5120.2175.1-162.1164.8-163.5170.70109.3T23 I48T23-K31 HydrophobicContact CG2-CD 4.27Å; T23-K31 HydrophobicContact CG2-CG 3.68Å; T23-K31 WeakPolarHBondContact OG1-CE 3.21Å; K31-I48 PolarHBondContact N-O 3.47Å; K31-I48 WeakPolarHBondContact O-CB 3.29Å; K31-I48 PolarHBondContact O-N 3.17Å
32V89.1Confident85.1Confident38 Ų3834.7 Ų34.723%0.2320%0.197CC..EExtended strand (participates in β ladder)trans-97.7120.5-179.5-170.40000109.1T23 I24 G25 A45 I46 K47T23-V32 CarbonylContact C-O 3.54Å; T23-V32 WeakPolarHBondContact CA-O 3.46Å; T23-V32 WeakPolarHBondContact CG2-O 3.45Å; I24-V32 HydrophobicContact CD1-CG1 4.09Å; I24-V32 HydrophobicContact CG1-CB 4.31Å; I24-V32 HydrophobicContact CG1-CG1 3.84Å; I24-V32 PolarHBondContact N-O 2.82Å; G25-V32 PolarHBondContact N-O 3.02Å; G25-V32 PolarHBondContact O-N 3.4Å; V32-A45 HydrophobicContact CG1-CB 4.11Å; V32-I46 CarbonylContact C-O 3.4Å; V32-I46 WeakPolarHBondContact CA-O 3.31Å; V32-K47 HydrophobicContact CG2-CB 4.42Å; V32-K47 HydrophobicContact CG2-CG 4.39Å
33K89.9Confident85.8Confident64 Ų6437.3 Ų37.328%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-106.5151.7174.4-71.7-163.6170.7-164.10112V20 E22 I46 I48V20-K33 HydrophobicContact CG1-CB 4.04Å; V20-K33 HydrophobicContact CG1-CD 3.42Å; V20-K33 VanDerWaalsContact CG1-CD 3.42Å; V20-K33 HydrophobicContact CG1-CG 4.4Å; E22-K33 CarbonylContact O-C 3.33Å; E22-K33 WeakPolarHBondContact O-CA 3.29Å; E22-K33 VanDerWaalsContact O-CB 3.3Å; E22-K33 WeakPolarHBondContact O-CB 3.34Å; K33-I46 PolarHBondContact N-O 2.9Å; K33-I46 PolarHBondContact O-N 3.21Å; K33-I48 HydrophobicContact CD-CD1 3.96Å; K33-I48 HydrophobicContact CG-CD1 4.04Å
34L92.3Very high86.6Confident4 Ų435.5 Ų35.52%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-72140.8160.4-176.569000108.4Y21 E22 I24 K43 Y95Y21-L34 HydrophobicContact CD2-CB 4.44Å; Y21-L34 HydrophobicContact CD2-CD2 3.95Å; Y21-L34 HydrophobicContact CD2-CG 3.96Å; Y21-L34 PolarHBondContact N-O 3.38Å; E22-L34 HydrophobicContact CG-CB 4.47Å; E22-L34 PolarHBondContact O-N 2.82Å; E22-L34 WeakPolarHBondContact OE1-CD2 3.5Å; I24-L34 HydrophobicContact CD1-CB 4.43Å; I24-L34 HydrophobicContact CG2-CB 3.86Å; L34-K43 HydrophobicContact CD1-CB 4.33Å; L34-K43 HydrophobicContact CD1-CD 4.21Å; L34-K43 HydrophobicContact CD1-CG 4.5Å; L34-K43 HydrophobicContact CD2-CD 4.36Å; L34-Y95 HydrophobicContact CD1-CD1 3.95Å; L34-Y95 HydrophobicContact CD1-CD2 3.6Å; L34-Y95 HydrophobicContact CD1-CE1 3.91Å; L34-Y95 HydrophobicContact CD1-CE2 3.59Å; L34-Y95 HydrophobicContact CD1-CG 3.79Å
35G95.9Very high87.4Confident0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-142.4-179.4167.300000112.3E19 K43 V44E19-G35 CarbonylContact O-C 3.59Å; E19-G35 WeakPolarHBondContact O-CA 3.09Å; G35-K43 WeakPolarHBondContact O-CA 3.44Å; G35-V44 PolarHBondContact N-O 3.38Å; G35-V44 PolarHBondContact O-N 2.96Å
36R96.9Very high88.5Confident67 Ų6735.1 Ų35.125%0.25320%0.195SC..EExtended strand (participates in β ladder)trans-144.8127.1179.6171.6-168.7-169.4-153.727.4109.1Y18 E19 Y21 L38 E42Y18-R36 WeakPolarHBondContact CA-O 3.33Å; E19-R36 HydrophobicContact CB-CB 4.32Å; E19-R36 PolarHBondContact N-O 3.11Å; E19-R36 PolarHBondContact O-N 3.03Å; E19-R36 IonicContact OE1-NH1 2.77Å; E19-R36 WeakPolarHBondContact OE2-CD 3.35Å; E19-R36 IonicContact OE2-CZ 3.96Å; E19-R36 IonicContact OE2-NE 2.64Å; E19-R36 IonicContact OE2-NH1 3.75Å; E19-R36 PolarHBondContact OE2-NH1 2.78Å; Y21-R36 HydrophobicContact CE2-CB 3.76Å; Y21-R36 WeakPolarHBondContact OH-CD 3.43Å; R36-L38 PolarHBondContact O-N 3.1Å; R36-E42 WeakPolarHBondContact CA-O 3.36Å
37H97.5Very high89.8Confident0 Ų034.6 Ų34.60%019%0.188CC..EExtended strand (participates in β ladder)trans-72.8125.1178.4-177.5-126.2000110Y17 Y18 L39 T40 G41 E42 T323 L326Y17-H37 PolarHBondContact O-CD2 3.4Å; Y17-H37 VanDerWaalsContact O-CD2 3.26Å; Y18-H37 HydrophobicContact CD1-CB 3.98Å; Y18-H37 HydrophobicContact CE1-CB 3.73Å; Y18-H37 AromaticContact CE1-CD2 3.53Å; Y18-H37 AromaticContact CE1-CG 3.94Å; Y18-H37 AromaticContact CZ-CD2 3.83Å; H37-L39 PolarHBondContact O-N 2.79Å; H37-T40 PolarHBondContact ND1-N 3.15Å; H37-T40 PolarHBondContact ND1-OG1 2.7Å; H37-G41 WeakPolarHBondContact O-CA 3.4Å; H37-G41 PolarHBondContact O-N 2.93Å; H37-E42 PolarHBondContact N-O 3.5Å; H37-T323 PolarHBondContact CE1-OG1 2.93Å; H37-L326 HydrophobicContact CB-CD1 3.55Å
38L96.3Very high91Very high67 Ų6734.8 Ų34.835%0.35118%0.182SC..THydrogen-bonded Turntrans-61.4-45.7-168.9-67.8172.8000112.3Y17 E19 R36 R340Y17-L38 WeakPolarHBondContact O-CG 3.43Å; Y17-L38 PolarHBondContact O-N 3.29Å; E19-L38 HydrophobicContact CB-CD2 3.94Å; R36-L38 PolarHBondContact O-N 3.1Å; L38-R340 WeakPolarHBondContact O-CD 3.26Å
39L95.6Very high92.3Very high16 Ų1632.8 Ų32.88%0.08416%0.16CC..THydrogen-bonded Turntrans-72.1-45-176.7-62.6176000113.3H37 L339 R340 E342H37-L39 PolarHBondContact O-N 2.79Å; L39-L339 HydrophobicContact CB-CD2 4.14Å; L39-L339 CarbonylContact O-C 3.55Å; L39-L339 WeakPolarHBondContact O-CA 3.48Å; L39-R340 WeakPolarHBondContact O-CB 3.42Å; L39-R340 WeakPolarHBondContact O-CG 3.29Å; L39-R340 PolarHBondContact O-N 2.85Å; L39-E342 HydrophobicContact CD2-CG 4.05Å
40T96.3Very high93.2Very high1 Ų130.9 Ų30.91%0.00615%0.154CC..THydrogen-bonded Turntrans-84.9-28.7-177.555.80000112.9H37 E42 L326 L327 K330 L339H37-T40 PolarHBondContact ND1-N 3.15Å; H37-T40 PolarHBondContact ND1-OG1 2.7Å; T40-E42 VanDerWaalsContact C-N 3.29Å; T40-L326 HydrophobicContact CG2-CB 3.93Å; T40-L327 HydrophobicContact CG2-CB 4.14Å; T40-K330 PolarHBondContact O-NZ 3.39Å; T40-L339 HydrophobicContact CG2-CD2 3.56Å
41G94.8Very high93.6Very high19 Ų1932.1 Ų32.120%0.19616%0.156CC..  trans80-0.5-173.500000115H37H37-G41 WeakPolarHBondContact O-CA 3.4Å; H37-G41 PolarHBondContact O-N 2.93Å
42E95.8Very high93.8Very high20 Ų2035.1 Ų35.19%0.09317%0.169CC..  trans-75.9149.4178.9-71.7-66.1102.300111.9R36 H37 T40 L326 K330 K333 K335R36-E42 WeakPolarHBondContact CA-O 3.36Å; H37-E42 PolarHBondContact N-O 3.5Å; T40-E42 VanDerWaalsContact C-N 3.29Å; E42-L326 HydrophobicContact CB-CD2 4.34Å; E42-K330 HydrophobicContact CG-CB 4.16Å; E42-K333 IonicContact OE2-NZ 3.69Å; E42-K333 PolarHBondContact OE2-NZ 3.25Å; E42-K335 VanDerWaalsContact CD-NZ 3.33Å; E42-K335 IonicContact OE1-NZ 3.23Å; E42-K335 PolarHBondContact OE1-NZ 3.13Å; E42-K335 IonicContact OE2-NZ 2.69Å; E42-K335 PolarHBondContact OE2-NZ 3.45Å
43K95.9Very high93.6Very high111 Ų11138 Ų3848%0.48318%0.183SC..EExtended strand (participates in β ladder)trans-77.8146.3175.1-73.1-174.1168.8-161.20111.8L34 G35 Y95L34-K43 HydrophobicContact CD1-CB 4.33Å; L34-K43 HydrophobicContact CD1-CD 4.21Å; L34-K43 HydrophobicContact CD1-CG 4.5Å; L34-K43 HydrophobicContact CD2-CD 4.36Å; G35-K43 WeakPolarHBondContact O-CA 3.44Å; K43-Y95 HydrophobicContact CB-CD1 3.82Å; K43-Y95 HydrophobicContact CB-CG 4.39Å; K43-Y95 HydrophobicContact CD-CD1 4.04Å; K43-Y95 HydrophobicContact CD-CE1 3.9Å
44V96.8Very high93.3Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-140155179.3-68.50000110.8Y18 G35 I46 Y80 V92 L326Y18-V44 HydrophobicContact CD1-CG2 3.8Å; Y18-V44 HydrophobicContact CE1-CG2 4.07Å; G35-V44 PolarHBondContact N-O 3.38Å; G35-V44 PolarHBondContact O-N 2.96Å; V44-I46 HydrophobicContact CG2-CD1 4.33Å; V44-I46 HydrophobicContact CG2-CG1 4.09Å; V44-Y80 HydrophobicContact CG1-CD2 4.02Å; V44-Y80 HydrophobicContact CG1-CE2 4.21Å; V44-V92 HydrophobicContact CB-CG1 3.64Å; V44-V92 HydrophobicContact CG1-CG1 3.82Å; V44-V92 HydrophobicContact CG2-CG1 3.75Å; V44-L326 HydrophobicContact CG1-CD1 4.04Å; V44-L326 HydrophobicContact CG1-CD2 3.76Å
45A95.6Very high93Very high10 Ų1037.2 Ų37.28%0.08319%0.191CC..EExtended strand (participates in β ladder)trans-96.1136.7166.500000109.1I24 V32 V92 L93I24-A45 HydrophobicContact CD1-CB 4.16Å; V32-A45 HydrophobicContact CG1-CB 4.11Å; A45-V92 WeakPolarHBondContact O-CA 3.47Å; A45-L93 HydrophobicContact CB-CB 4.34Å; A45-L93 PolarHBondContact N-O 2.85Å; A45-L93 PolarHBondContact O-N 3.23Å
46I95.9Very high92.4Very high0 Ų045.1 Ų45.10%023%0.234CC..EExtended strand (participates in β ladder)trans-119.9103.4-176.8-53.5174.6000108.4L14 Y18 V20 V32 K33 V44 I48 F90 M91 V92L14-I46 HydrophobicContact CD1-CD1 4.34Å; L14-I46 HydrophobicContact CD1-CG2 4.1Å; L14-I46 HydrophobicContact CD2-CD1 4.37Å; L14-I46 HydrophobicContact CD2-CG2 4.12Å; Y18-I46 HydrophobicContact CG-CD1 4.33Å; V20-I46 HydrophobicContact CG2-CD1 4.02Å; V32-I46 CarbonylContact C-O 3.4Å; V32-I46 WeakPolarHBondContact CA-O 3.31Å; K33-I46 PolarHBondContact N-O 2.9Å; K33-I46 PolarHBondContact O-N 3.21Å; V44-I46 HydrophobicContact CG2-CD1 4.33Å; V44-I46 HydrophobicContact CG2-CG1 4.09Å; I46-I48 HydrophobicContact CG2-CG1 4.04Å; I46-I48 PolarHBondContact O-N 2.98Å; I46-F90 HydrophobicContact CG2-CB 4.5Å; I46-F90 HydrophobicContact CG2-CD1 4.35Å; I46-M91 WeakPolarHBondContact CA-O 3.49Å; I46-V92 HydrophobicContact CG1-CG2 4.46Å
47K93.6Very high91.7Very high25 Ų2543.9 Ų43.911%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-80.5106.5174.5-173.1-174.3-169.3-1780108A30 V32 M49 E64 F90 M91 L93A30-K47 HydrophobicContact CB-CG 4.06Å; V32-K47 HydrophobicContact CG2-CB 4.42Å; V32-K47 HydrophobicContact CG2-CG 4.39Å; K47-M49 HydrophobicContact CD-CE 4.23Å; K47-M49 HydrophobicContact CD-SD 4.17Å; K47-M49 HydrophobicContact CG-CE 4.28Å; K47-M49 HydrophobicContact CG-CG 4.41Å; K47-M49 HydrophobicContact CG-SD 4.3Å; K47-E64 IonicContact NZ-OE1 3.43Å; K47-E64 PolarHBondContact NZ-OE1 3.35Å; K47-E64 IonicContact NZ-OE2 2.72Å; K47-E64 PolarHBondContact NZ-OE2 3.18Å; K47-F90 WeakPolarHBondContact O-CA 3.43Å; K47-M91 HydrophobicContact CB-CB 4.27Å; K47-M91 HydrophobicContact CD-SD 4.24Å; K47-M91 PolarHBondContact N-O 3.13Å; K47-M91 PolarHBondContact O-N 2.97Å; K47-L93 HydrophobicContact CB-CD1 4.28Å
48I92Very high91.1Very high32 Ų3246 Ų4616%0.16424%0.243CC..EExtended strand (participates in β ladder)trans-98125.3-179.1-47.8-179.7000108.8A30 K31 K33 I46 F90A30-I48 CarbonylContact C-O 3.58Å; A30-I48 WeakPolarHBondContact CA-O 3.2Å; K31-I48 PolarHBondContact N-O 3.47Å; K31-I48 WeakPolarHBondContact O-CB 3.29Å; K31-I48 PolarHBondContact O-N 3.17Å; K33-I48 HydrophobicContact CD-CD1 3.96Å; K33-I48 HydrophobicContact CG-CD1 4.04Å; I46-I48 HydrophobicContact CG2-CG1 4.04Å; I46-I48 PolarHBondContact O-N 2.98Å; I48-F90 HydrophobicContact CB-CD1 4.31Å; I48-F90 HydrophobicContact CB-CE1 4.45Å; I48-F90 HydrophobicContact CD1-CE1 4.42Å; I48-F90 HydrophobicContact CG1-CD1 3.97Å; I48-F90 HydrophobicContact CG1-CE1 4.21Å; I48-F90 HydrophobicContact CG2-CD1 3.94Å; I48-F90 HydrophobicContact CG2-CE1 3.67Å
49M91.2Very high90.7Very high5 Ų546.9 Ų46.93%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-131.7139.9179.9-62.8166.5-72.500110.8A30 K47 L54 V61 Q88 I89 M91A30-M49 HydrophobicContact CB-CG 3.68Å; A30-M49 HydrophobicContact CB-SD 4.43Å; K47-M49 HydrophobicContact CD-CE 4.23Å; K47-M49 HydrophobicContact CD-SD 4.17Å; K47-M49 HydrophobicContact CG-CE 4.28Å; K47-M49 HydrophobicContact CG-CG 4.41Å; K47-M49 HydrophobicContact CG-SD 4.3Å; M49-L54 HydrophobicContact CB-CD1 4.01Å; M49-V61 HydrophobicContact CE-CG1 3.72Å; M49-V61 HydrophobicContact SD-CG1 3.84Å; M49-V61 HydrophobicContact SD-CG2 3.88Å; M49-Q88 CarbonylContact O-C 3.52Å; M49-Q88 VanDerWaalsContact O-CA 3.26Å; M49-Q88 WeakPolarHBondContact O-CA 3.38Å; M49-I89 HydrophobicContact CE-CB 4.2Å; M49-I89 HydrophobicContact CE-CG2 3.87Å; M49-I89 PolarHBondContact N-O 3.11Å; M49-I89 PolarHBondContact O-N 2.89Å; M49-M91 HydrophobicContact CE-CG 4.01Å; M49-M91 HydrophobicContact CE-SD 3.58Å; M49-M91 VanDerWaalsContact CE-SD 3.58Å
50N89.9Confident90.1Very high43 Ų4349.8 Ų49.823%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-96.4127.4175.6177.80.7000109.9K52 D53 L54 T87N50-K52 VanDerWaalsContact C-N 3.26Å; N50-K52 PolarHBondContact O-N 3.21Å; N50-K52 PolarHBondContact OD1-N 3.26Å; N50-D53 HydrophobicContact CB-CB 4.1Å; N50-D53 VanDerWaalsContact CB-OD2 3.23Å; N50-D53 WeakPolarHBondContact CB-OD2 3.45Å; N50-D53 PolarHBondContact ND2-OD1 2.96Å; N50-D53 PolarHBondContact ND2-OD2 3.21Å; N50-D53 PolarHBondContact O-N 3.17Å; N50-L54 WeakPolarHBondContact O-CG 3.38Å; N50-L54 PolarHBondContact O-N 3.36Å; N50-L54 VanDerWaalsContact O-N 3.07Å; N50-T87 PolarHBondContact OD1-O 3.25Å
51K90.4Very high89.6Confident44 Ų4450.1 Ų50.119%0.19127%0.265CS..Hα-helixtrans-64.5-29-178.8-68.2176.8166.8-173.20113.1L58 E84 T85 T87 I89K51-L58 HydrophobicContact CG-CD1 4.3Å; K51-E84 VanDerWaalsContact CE-OE1 3.26Å; K51-E84 WeakPolarHBondContact CE-OE1 3.39Å; K51-E84 IonicContact NZ-OE1 3.53Å; K51-E84 PolarHBondContact NZ-OE1 3.35Å; K51-T85 WeakPolarHBondContact CE-O 3.48Å; K51-T85 PolarHBondContact NZ-O 3.28Å; K51-T87 WeakPolarHBondContact CB-O 3.48Å; K51-T87 WeakPolarHBondContact CG-O 2.93Å; K51-T87 PolarHBondContact N-O 3.28Å; K51-I89 HydrophobicContact CG-CD1 4.38Å; K51-I89 HydrophobicContact CG-CG1 4.14Å
52K87.9Confident89.3Confident171 Ų17154 Ų5474%0.74328%0.276SS*.Hα-helixtrans-70.5-42.7175.8-65.3-177.2178.2179.20111.5N50N50-K52 VanDerWaalsContact C-N 3.26Å; N50-K52 PolarHBondContact O-N 3.21Å; N50-K52 PolarHBondContact OD1-N 3.26Å
53D85.4Confident88.9Confident100 Ų10056.5 Ų56.554%0.53529%0.292SS..Hα-helixtrans-76.6-26.2-175.2-52.7-15.4000111.8F29 N50F29-D53 WeakPolarHBondContact CD1-O 3.26Å; N50-D53 HydrophobicContact CB-CB 4.1Å; N50-D53 VanDerWaalsContact CB-OD2 3.23Å; N50-D53 WeakPolarHBondContact CB-OD2 3.45Å; N50-D53 PolarHBondContact ND2-OD1 2.96Å; N50-D53 PolarHBondContact ND2-OD2 3.21Å; N50-D53 PolarHBondContact O-N 3.17Å
54L83.3Confident88.6Confident9 Ų951.6 Ų51.65%0.04727%0.271CS..Hα-helixtrans-68.2-43.5173.3-79.4169.7000113.4F29 M49 N50 D56 D57 L58 V61F29-L54 HydrophobicContact CB-CD2 3.81Å; F29-L54 HydrophobicContact CG-CD2 4.37Å; M49-L54 HydrophobicContact CB-CD1 4.01Å; N50-L54 WeakPolarHBondContact O-CG 3.38Å; N50-L54 PolarHBondContact O-N 3.36Å; N50-L54 VanDerWaalsContact O-N 3.07Å; L54-D56 PolarHBondContact O-N 3.5Å; L54-D57 HydrophobicContact CD2-CB 4.07Å; L54-D57 WeakPolarHBondContact O-CB 3.47Å; L54-D57 PolarHBondContact O-N 2.74Å; L54-L58 HydrophobicContact CB-CB 4.24Å; L54-L58 HydrophobicContact CD1-CD1 3.91Å; L54-V61 HydrophobicContact CD1-CB 4.47Å; L54-V61 HydrophobicContact CD1-CG2 3.93Å; L54-V61 HydrophobicContact CD2-CG2 3.66Å; L54-V61 HydrophobicContact CG-CG2 4.48Å
55G86.5Confident88.4Confident41 Ų4152.4 Ų52.442%0.42328%0.275SS..G310 helixtrans48.8-115.1-177.100000113.2D57 L58G55-D57 VanDerWaalsContact C-N 3.27Å; G55-D57 PolarHBondContact O-N 2.88Å; G55-L58 VanDerWaalsContact O-CB 3.23Å; G55-L58 WeakPolarHBondContact O-CB 3.25Å; G55-L58 PolarHBondContact O-N 2.78Å; G55-L58 VanDerWaalsContact O-N 3.11Å
56D83.5Confident88.3Confident167 Ų16754.2 Ų54.289%0.89329%0.29SS*.G310 helixtrans-68.1-16.8180-64.5-34.3000114.3L54 L58 P59L54-D56 PolarHBondContact O-N 3.5Å; D56-L58 VanDerWaalsContact C-N 3.33Å; D56-P59 VanDerWaalsContact O-CD 3.27Å; D56-P59 WeakPolarHBondContact O-CD 3.4Å
57D80.6Confident88Confident40 Ų4054.2 Ų54.221%0.21429%0.29CS..G310 helixtrans-81.6-6.2171.2-85.7-71.3000112.7L54 G55 R60 V61L54-D57 HydrophobicContact CD2-CB 4.07Å; L54-D57 WeakPolarHBondContact O-CB 3.47Å; L54-D57 PolarHBondContact O-N 2.74Å; G55-D57 VanDerWaalsContact C-N 3.27Å; G55-D57 PolarHBondContact O-N 2.88Å; D57-R60 VanDerWaalsContact O-CB 3.26Å; D57-R60 WeakPolarHBondContact O-CB 3.32Å; D57-R60 PolarHBondContact O-N 2.79Å; D57-R60 VanDerWaalsContact O-N 3.07Å; D57-R60 WeakPolarHBondContact OD1-CD 3.31Å; D57-R60 IonicContact OD1-CZ 2.68Å; D57-R60 IonicContact OD1-NE 2.73Å; D57-R60 IonicContact OD1-NH1 3.27Å; D57-R60 PolarHBondContact OD1-NH1 3.26Å; D57-V61 PolarHBondContact O-N 2.91Å; D57-V61 VanDerWaalsContact O-N 3.12Å
58L86.1Confident88Confident45 Ų4553.2 Ų53.224%0.23629%0.286CS..Hα-helixtrans-59.9-39.8179.2-177.562.4000114.3K51 L54 G55 D56 R60 V61 K62 I89K51-L58 HydrophobicContact CG-CD1 4.3Å; L54-L58 HydrophobicContact CB-CB 4.24Å; L54-L58 HydrophobicContact CD1-CD1 3.91Å; G55-L58 VanDerWaalsContact O-CB 3.23Å; G55-L58 WeakPolarHBondContact O-CB 3.25Å; G55-L58 PolarHBondContact O-N 2.78Å; G55-L58 VanDerWaalsContact O-N 3.11Å; D56-L58 VanDerWaalsContact C-N 3.33Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.4Å; L58-V61 PolarHBondContact O-N 3.42Å; L58-K62 PolarHBondContact O-N 2.86Å; L58-I89 HydrophobicContact CD1-CD1 3.74Å
59P86.9Confident88Confident86 Ų8655 Ų5556%0.55829%0.293SS*.Hα-helixtrans-63.9-33.7172.7-2134.5000112.7D56 K62 V63D56-P59 VanDerWaalsContact O-CD 3.27Å; D56-P59 WeakPolarHBondContact O-CD 3.4Å; P59-K62 WeakPolarHBondContact O-CB 3.28Å; P59-K62 PolarHBondContact O-N 3.25Å; P59-V63 PolarHBondContact O-N 2.93Å
60R82.8Confident88Confident77 Ų7759.2 Ų59.229%0.29132%0.316SS..Hα-helixtrans-65.6-42.9178.8-176.5-168169.8-167.3-8.5111.4D57 L58 K62 V63 E64 G159D57-R60 VanDerWaalsContact O-CB 3.26Å; D57-R60 WeakPolarHBondContact O-CB 3.32Å; D57-R60 PolarHBondContact O-N 2.79Å; D57-R60 VanDerWaalsContact O-N 3.07Å; D57-R60 WeakPolarHBondContact OD1-CD 3.31Å; D57-R60 IonicContact OD1-CZ 2.68Å; D57-R60 IonicContact OD1-NE 2.73Å; D57-R60 IonicContact OD1-NH1 3.27Å; D57-R60 PolarHBondContact OD1-NH1 3.26Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.4Å; R60-K62 VanDerWaalsContact C-N 3.27Å; R60-K62 PolarHBondContact O-N 3.48Å; R60-V63 WeakPolarHBondContact O-CB 3.39Å; R60-V63 PolarHBondContact O-N 2.96Å; R60-V63 VanDerWaalsContact O-N 3.08Å; R60-E64 PolarHBondContact O-N 3.3Å; R60-G159 WeakPolarHBondContact CD-O 3.33Å; R60-G159 WeakPolarHBondContact CG-O 3.13Å; R60-G159 PolarHBondContact NE-O 3.33Å
61V87.1Confident88.1Confident8 Ų857.3 Ų57.35%0.04831%0.305CS..Hα-helixtrans-61-35.5171.91740000111.8M49 L54 D57 L58 V63 E64 I65 I89M49-V61 HydrophobicContact CE-CG1 3.72Å; M49-V61 HydrophobicContact SD-CG1 3.84Å; M49-V61 HydrophobicContact SD-CG2 3.88Å; L54-V61 HydrophobicContact CD1-CB 4.47Å; L54-V61 HydrophobicContact CD1-CG2 3.93Å; L54-V61 HydrophobicContact CD2-CG2 3.66Å; L54-V61 HydrophobicContact CG-CG2 4.48Å; D57-V61 PolarHBondContact O-N 2.91Å; D57-V61 VanDerWaalsContact O-N 3.12Å; L58-V61 PolarHBondContact O-N 3.42Å; V61-V63 VanDerWaalsContact C-N 3.35Å; V61-E64 WeakPolarHBondContact O-CB 3.38Å; V61-E64 PolarHBondContact O-N 3.42Å; V61-I65 HydrophobicContact CG1-CD1 4Å; V61-I65 WeakPolarHBondContact O-CG1 3.29Å; V61-I65 PolarHBondContact O-N 3.35Å; V61-I89 HydrophobicContact CG1-CD1 4.27Å
62K88.6Confident88.2Confident101 Ų10155.4 Ų55.444%0.43930%0.298SS..Hα-helixtrans-68.5-32.1174.3-67.3-171.1175.9-162.40112.7L58 P59 R60 A66 E84L58-K62 PolarHBondContact O-N 2.86Å; P59-K62 WeakPolarHBondContact O-CB 3.28Å; P59-K62 PolarHBondContact O-N 3.25Å; R60-K62 VanDerWaalsContact C-N 3.27Å; R60-K62 PolarHBondContact O-N 3.48Å; K62-A66 VanDerWaalsContact O-CB 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.47Å; K62-A66 PolarHBondContact O-N 3.23Å; K62-E84 IonicContact NZ-OE1 2.73Å
63V87.1Confident88.5Confident71 Ų7147.7 Ų47.743%0.4326%0.264SS..Hα-helixtrans-69.9-43170.8174.80000111.5P59 R60 V61 I65 A66 A67P59-V63 PolarHBondContact O-N 2.93Å; R60-V63 WeakPolarHBondContact O-CB 3.39Å; R60-V63 PolarHBondContact O-N 2.96Å; R60-V63 VanDerWaalsContact O-N 3.08Å; V61-V63 VanDerWaalsContact C-N 3.35Å; V63-I65 PolarHBondContact O-N 3.29Å; V63-A66 PolarHBondContact O-N 2.64Å; V63-A67 PolarHBondContact O-N 3.05Å
64E90Very high89Confident8 Ų844.5 Ų44.54%0.03725%0.246CC..Hα-helixtrans-54.3-52.3174.1-173.2-172.1175.900110.8K47 R60 V61 A66 A67 M68 M91 F158K47-E64 IonicContact NZ-OE1 3.43Å; K47-E64 PolarHBondContact NZ-OE1 3.35Å; K47-E64 IonicContact NZ-OE2 2.72Å; K47-E64 PolarHBondContact NZ-OE2 3.18Å; R60-E64 PolarHBondContact O-N 3.3Å; V61-E64 WeakPolarHBondContact O-CB 3.38Å; V61-E64 PolarHBondContact O-N 3.42Å; E64-A66 PolarHBondContact O-N 3.01Å; E64-A67 PolarHBondContact O-N 3.08Å; E64-M68 HydrophobicContact CG-SD 4.25Å; E64-M68 WeakPolarHBondContact O-CG 3.24Å; E64-M68 PolarHBondContact O-N 2.93Å; E64-M91 HydrophobicContact CG-CE 4.18Å; E64-F158 HydrophobicContact CG-CB 4.27Å
65I91.6Very high89.6Confident17 Ų1745 Ų459%0.08725%0.248CC..Hα-helixtrans-58.8-47.2177-69.6164.2000110.7V61 V63 A67 M68 K69 V82 I89 M91V61-I65 HydrophobicContact CG1-CD1 4Å; V61-I65 WeakPolarHBondContact O-CG1 3.29Å; V61-I65 PolarHBondContact O-N 3.35Å; V63-I65 PolarHBondContact O-N 3.29Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 2.69Å; I65-M68 PolarHBondContact O-N 2.88Å; I65-K69 HydrophobicContact CG2-CD 4.41Å; I65-K69 HydrophobicContact CG2-CG 4.35Å; I65-K69 WeakPolarHBondContact O-CG 3.29Å; I65-K69 PolarHBondContact O-N 2.8Å; I65-V82 HydrophobicContact CD1-CG1 4.06Å; I65-V82 HydrophobicContact CG2-CG2 3.9Å; I65-I89 HydrophobicContact CD1-CG2 4.06Å; I65-M91 HydrophobicContact CD1-CG 4.19Å; I65-M91 HydrophobicContact CD1-SD 4.04Å; I65-M91 HydrophobicContact CG1-CE 3.88Å; I65-M91 HydrophobicContact CG1-CG 4.01Å; I65-M91 HydrophobicContact CG1-SD 3.57Å; I65-M91 VanDerWaalsContact CG1-SD 3.57Å
66A93Very high90Very high48 Ų4843.2 Ų43.240%0.39723%0.229SC..Hα-helixtrans-63.6-32.2179.800000113K62 V63 E64 N70K62-A66 VanDerWaalsContact O-CB 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.47Å; K62-A66 PolarHBondContact O-N 3.23Å; V63-A66 PolarHBondContact O-N 2.64Å; E64-A66 PolarHBondContact O-N 3.01Å; A66-N70 PolarHBondContact O-ND2 3.48Å
67A91.4Very high90.5Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-69.3-52.7171.400000111.2V63 E64 I65 K69 N70 L71 Y135 F158 C161V63-A67 PolarHBondContact O-N 3.05Å; E64-A67 PolarHBondContact O-N 3.08Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 2.69Å; A67-K69 PolarHBondContact O-N 2.88Å; A67-N70 PolarHBondContact O-N 2.98Å; A67-L71 HydrophobicContact CB-CD1 4.34Å; A67-L71 WeakPolarHBondContact O-CG 3.43Å; A67-L71 PolarHBondContact O-N 3.41Å; A67-Y135 HydrophobicContact CB-CD1 4.09Å; A67-Y135 HydrophobicContact CB-CE1 3.62Å; A67-F158 HydrophobicContact CB-CB 3.95Å; A67-F158 HydrophobicContact CB-CG 4.4Å; A67-C161 VanDerWaalsContact CB-SG 3.58Å
68M92.8Very high91.1Very high4 Ų434.2 Ų34.22%0.0218%0.18CC..Hα-helixtrans-64.5-23.4-178.3-64.8-171.983.900114E64 I65 N70 C77 L79 M91 L93 F158E64-M68 HydrophobicContact CG-SD 4.25Å; E64-M68 WeakPolarHBondContact O-CG 3.24Å; E64-M68 PolarHBondContact O-N 2.93Å; I65-M68 PolarHBondContact O-N 2.88Å; M68-N70 VanDerWaalsContact C-N 3.34Å; M68-C77 VanDerWaalsContact CE-O 3.24Å; M68-C77 WeakPolarHBondContact CE-O 3.37Å; M68-L79 HydrophobicContact CB-CB 4Å; M68-L79 HydrophobicContact CB-CD2 3.94Å; M68-L79 HydrophobicContact CE-CB 4.46Å; M68-M91 HydrophobicContact SD-CE 3.59Å; M68-M91 VanDerWaalsContact SD-CE 3.59Å; M68-L93 HydrophobicContact CE-CD2 3.73Å; M68-L93 HydrophobicContact SD-CD2 4.31Å; M68-F158 HydrophobicContact CG-CB 4.4Å; M68-F158 HydrophobicContact CG-CD2 3.72Å; M68-F158 HydrophobicContact CG-CG 4.35Å; M68-F158 HydrophobicContact SD-CD2 4.36Å
69K92.7Very high91.6Very high71 Ų7132.1 Ų32.131%0.30917%0.169SC..Hα-helixtrans-69.9-27.9170.1-73.1-162.6-179.5-161.20113.6I65 A67 L79 K316 Y317I65-K69 HydrophobicContact CG2-CD 4.41Å; I65-K69 HydrophobicContact CG2-CG 4.35Å; I65-K69 WeakPolarHBondContact O-CG 3.29Å; I65-K69 PolarHBondContact O-N 2.8Å; A67-K69 PolarHBondContact O-N 2.88Å; K69-L79 HydrophobicContact CG-CD2 3.83Å; K69-K316 PolarHBondContact NZ-O 2.95Å; K69-Y317 HydrophobicContact CB-CD2 4.08Å; K69-Y317 HydrophobicContact CB-CE2 3.64Å; K69-Y317 HydrophobicContact CD-CD2 3.48Å; K69-Y317 VanDerWaalsContact CD-CD2 3.48Å; K69-Y317 HydrophobicContact CD-CE2 3.95Å; K69-Y317 HydrophobicContact CD-CG 4.19Å; K69-Y317 HydrophobicContact CG-CD2 3.45Å; K69-Y317 VanDerWaalsContact CG-CD2 3.45Å; K69-Y317 HydrophobicContact CG-CE2 3.56Å; K69-Y317 HydrophobicContact CG-CG 4.01Å; K69-Y317 PolarHBondContact O-OH 2.74Å
70N91.2Very high92Very high93 Ų9328.6 Ų28.650%0.49715%0.145SC..Hα-helixtrans-96.4-21.2-179.9-73.6-73.5000113.4A66 A67 M68 Y135A66-N70 PolarHBondContact O-ND2 3.48Å; A67-N70 PolarHBondContact O-N 2.98Å; M68-N70 VanDerWaalsContact C-N 3.34Å; N70-Y135 HydrophobicContact CB-CE2 4.33Å
71L91.9Very high92.7Very high2 Ų225.4 Ų25.41%0.0113%0.133CC..  trans-92.9118.9-179.7-62.9171.4000110.9A67 V76 R78 Y129 V130 Q133 Y135 F158A67-L71 HydrophobicContact CB-CD1 4.34Å; A67-L71 WeakPolarHBondContact O-CG 3.43Å; A67-L71 PolarHBondContact O-N 3.41Å; L71-V76 HydrophobicContact CB-CG1 4.27Å; L71-R78 PolarHBondContact O-NH1 3.46Å; L71-Y129 HydrophobicContact CB-CE1 4.22Å; L71-Y129 HydrophobicContact CD2-CD1 4.2Å; L71-Y129 HydrophobicContact CD2-CE1 3.63Å; L71-V130 HydrophobicContact CD1-CG2 4.38Å; L71-V130 HydrophobicContact CD2-CG2 4.23Å; L71-Q133 HydrophobicContact CD2-CB 3.88Å; L71-Q133 HydrophobicContact CD2-CG 3.93Å; L71-Y135 HydrophobicContact CD2-CD2 4.08Å; L71-Y135 HydrophobicContact CD2-CE2 4.42Å; L71-F158 HydrophobicContact CD1-CD1 3.59Å; L71-F158 HydrophobicContact CD1-CD2 4.44Å; L71-F158 HydrophobicContact CD1-CE1 3.37Å; L71-F158 HydrophobicContact CD1-CE2 4.27Å; L71-F158 HydrophobicContact CD1-CG 4.14Å; L71-F158 HydrophobicContact CD1-CZ 3.75Å
72S91.9Very high93.2Very high5 Ų526.3 Ų26.34%0.03514%0.139CC..  trans-140.599.9177.8-176.80000108.7R78 Y129 S282S72-R78 PolarHBondContact OG-NE 3.03Å; S72-Y129 PolarHBondContact N-OH 2.96Å; S72-Y129 PolarHBondContact O-OH 2.95Å; S72-S282 WeakPolarHBondContact O-CB 3.37Å; S72-S282 PolarHBondContact O-OG 2.67Å
73H94.8Very high93.6Very high9 Ų922 Ų224%0.04212%0.12CC..  trans-154.2146.7-173.6175.8-103.8000110.5H75 V76 S125 Y129H73-H75 AromaticContact CE1-CD2 3.93Å; H73-H75 PolarHBondContact ND1-N 3.37Å; H73-H75 PolarHBondContact O-N 2.95Å; H73-V76 HydrophobicContact CB-CB 4.27Å; H73-V76 HydrophobicContact CB-CG2 4.07Å; H73-V76 PolarHBondContact O-N 3.22Å; H73-S125 PolarHBondContact CE1-OG 3.32Å; H73-S125 PolarHBondContact NE2-OG 2.89Å; H73-Y129 HydrophobicContact CB-CD1 3.43Å; H73-Y129 VanDerWaalsContact CB-CD1 3.43Å; H73-Y129 HydrophobicContact CB-CD2 4.21Å; H73-Y129 HydrophobicContact CB-CE1 3.6Å; H73-Y129 HydrophobicContact CB-CE2 4.37Å; H73-Y129 HydrophobicContact CB-CG 3.76Å; H73-Y129 AromaticContact CD2-CG 3.78Å; H73-Y129 AromaticContact CG-CD1 3.87Å; H73-Y129 AromaticContact CG-CG 3.77Å
74Q94.6Very high93.9Very high32 Ų3223.3 Ų23.315%0.1512%0.122CC..THydrogen-bonded Turntrans-52.9-32.6-174.749.6-86.712.700114.8K154 L281Q74-K154 PolarHBondContact O-NZ 2.95Å; Q74-L281 PolarHBondContact NE2-O 3.02Å
75H96.6Very high94Very high20 Ų2024.2 Ų24.29%0.09313%0.127CC..THydrogen-bonded Turntrans-105.919.2-179.1-58.8-56.8000114.4H73 Q122 A126 L153 L155H73-H75 AromaticContact CE1-CD2 3.93Å; H73-H75 PolarHBondContact ND1-N 3.37Å; H73-H75 PolarHBondContact O-N 2.95Å; H75-Q122 PolarHBondContact CE1-OE1 2.72Å; H75-Q122 PolarHBondContact ND1-OE1 2.87Å; H75-A126 HydrophobicContact CB-CB 3.96Å; H75-L153 VanDerWaalsContact CA-O 3.25Å; H75-L153 WeakPolarHBondContact CA-O 3.38Å; H75-L153 WeakPolarHBondContact CB-O 3.38Å; H75-L153 PolarHBondContact ND1-O 3.34Å; H75-L153 VanDerWaalsContact ND1-O 3.12Å; H75-L155 WeakPolarHBondContact O-CB 3.37Å; H75-L155 PolarHBondContact O-N 3.47Å
76V95.2Very high94Very high3 Ų328.8 Ų28.82%0.01816%0.161CC..BIsolated β-bridgetrans-120.7129.4172.4175.80000108.2L71 H73 R78 A126 V130 L155 F158L71-V76 HydrophobicContact CB-CG1 4.27Å; H73-V76 HydrophobicContact CB-CB 4.27Å; H73-V76 HydrophobicContact CB-CG2 4.07Å; H73-V76 PolarHBondContact O-N 3.22Å; V76-R78 PolarHBondContact O-N 3.32Å; V76-A126 HydrophobicContact CG2-CB 4.35Å; V76-V130 HydrophobicContact CG2-CG2 4.26Å; V76-L155 HydrophobicContact CG2-CB 4.44Å; V76-F158 HydrophobicContact CG1-CE2 3.63Å; V76-F158 HydrophobicContact CG1-CZ 3.64Å; V76-F158 HydrophobicContact CG2-CZ 4.46Å
77C94.1Very high93.9Very high4 Ų428.5 Ų28.53%0.02715%0.154CC..PPolyproline II helixtrans-58.8120.9-178176.70000111.4M68 K154 L155 I156M68-C77 VanDerWaalsContact CE-O 3.24Å; M68-C77 WeakPolarHBondContact CE-O 3.37Å; C77-K154 HydrophobicContact CB-CB 4.29Å; C77-L155 WeakPolarHBondContact CB-O 3.45Å; C77-L155 PolarHBondContact N-O 2.69Å; C77-I156 HydrophobicContact CB-CG2 3.5Å; C77-I156 VanDerWaalsContact CB-CG2 3.5Å
78R93.6Very high93.9Very high15 Ų1530.2 Ų30.26%0.05716%0.163CC..PPolyproline II helixtrans-76.4128.5-173.8-160.168.5175.1104.710.2112.1L71 S72 V76 Y80 L93 E94 Y317L71-R78 PolarHBondContact O-NH1 3.46Å; S72-R78 PolarHBondContact OG-NE 3.03Å; V76-R78 PolarHBondContact O-N 3.32Å; R78-Y80 HydrophobicContact CB-CE1 3.9Å; R78-Y80 HydrophobicContact CG-CD1 4.15Å; R78-Y80 HydrophobicContact CG-CE1 3.76Å; R78-L93 CarbonylContact O-C 3.51Å; R78-L93 WeakPolarHBondContact O-CA 3.48Å; R78-E94 HydrophobicContact CB-CB 4.32Å; R78-E94 PolarHBondContact N-OE2 3.45Å; R78-E94 PolarHBondContact O-N 3.44Å; R78-Y317 PolarHBondContact NH1-OH 2.86Å; R78-Y317 PolarHBondContact NH2-OH 2.73Å
79L95.6Very high94Very high1 Ų130 Ų301%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-78134.1163.8176.866.1000109.9M68 K69 V82 M91 L93 Y317M68-L79 HydrophobicContact CB-CB 4Å; M68-L79 HydrophobicContact CB-CD2 3.94Å; M68-L79 HydrophobicContact CE-CB 4.46Å; K69-L79 HydrophobicContact CG-CD2 3.83Å; L79-V82 HydrophobicContact CD1-CG2 3.95Å; L79-V82 HydrophobicContact CD2-CG2 3.89Å; L79-V82 HydrophobicContact CG-CG2 4.35Å; L79-M91 HydrophobicContact CD1-CB 4.19Å; L79-M91 HydrophobicContact CD1-CE 4.45Å; L79-L93 HydrophobicContact CB-CD2 4.21Å; L79-L93 HydrophobicContact CD1-CD2 3.7Å; L79-Y317 HydrophobicContact CB-CD1 4.4Å; L79-Y317 HydrophobicContact CB-CE1 4.33Å; L79-Y317 HydrophobicContact CD2-CD1 4.05Å; L79-Y317 HydrophobicContact CD2-CE1 4.39Å; L79-Y317 HydrophobicContact CD2-CG 4.38Å; L79-Y317 HydrophobicContact CG-CD1 3.86Å; L79-Y317 HydrophobicContact CG-CE1 4.26Å; L79-Y317 VanDerWaalsContact O-CE1 3.31Å; L79-Y317 WeakPolarHBondContact O-CE1 3.46Å
80Y96.4Very high94.1Very high12 Ų1226.8 Ų26.85%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-111.4-45.1178-58.8-50.1000112.9V44 R78 V92 E94 A322 L325 L326V44-Y80 HydrophobicContact CG1-CD2 4.02Å; V44-Y80 HydrophobicContact CG1-CE2 4.21Å; R78-Y80 HydrophobicContact CB-CE1 3.9Å; R78-Y80 HydrophobicContact CG-CD1 4.15Å; R78-Y80 HydrophobicContact CG-CE1 3.76Å; Y80-V92 PolarHBondContact N-O 3.41Å; Y80-E94 HydrophobicContact CE2-CB 4.29Å; Y80-A322 WeakPolarHBondContact O-CA 3.39Å; Y80-A322 WeakPolarHBondContact O-CB 3.16Å; Y80-A322 PolarHBondContact O-N 2.86Å; Y80-L325 HydrophobicContact CD1-CB 3.62Å; Y80-L325 HydrophobicContact CD1-CD1 4.06Å; Y80-L325 HydrophobicContact CD1-CG 4.49Å; Y80-L325 HydrophobicContact CE1-CB 4Å; Y80-L326 HydrophobicContact CD1-CD2 4.39Å; Y80-L326 HydrophobicContact CD1-CG 4.43Å; Y80-L326 HydrophobicContact CD2-CD2 3.69Å; Y80-L326 HydrophobicContact CD2-CG 4.21Å; Y80-L326 HydrophobicContact CE1-CD2 4.24Å; Y80-L326 HydrophobicContact CE2-CD2 3.47Å; Y80-L326 VanDerWaalsContact CE2-CD2 3.47Å; Y80-L326 HydrophobicContact CE2-CG 4.4Å; Y80-L326 HydrophobicContact CG-CD2 4.14Å; Y80-L326 HydrophobicContact CG-CG 4.21Å
81H97.4Very high94.3Very high10 Ų1022.4 Ų22.45%0.04612%0.124CC..EExtended strand (participates in β ladder)trans-143.7142.3-173.7-151.1158.2000109.9Y18 I83 V92 Y317 D318 Q319 A322Y18-H81 AromaticContact CE2-ND1 3.63Å; Y18-H81 AromaticContact CZ-ND1 3.75Å; Y18-H81 WeakPolarHBondContact OH-CB 3.39Å; Y18-H81 PolarHBondContact OH-ND1 3.13Å; H81-I83 WeakPolarHBondContact NE2-CG1 3.41Å; H81-V92 HydrophobicContact CB-CB 3.77Å; H81-V92 HydrophobicContact CB-CG2 3.83Å; H81-V92 PolarHBondContact N-O 3.15Å; H81-V92 PolarHBondContact O-N 3.37Å; H81-Y317 CarbonylContact C-O 3.49Å; H81-Y317 WeakPolarHBondContact CA-O 3.13Å; H81-Y317 PolarHBondContact CD2-O 2.73Å; H81-Y317 VanDerWaalsContact CD2-O 3.28Å; H81-D318 VanDerWaalsContact CD2-C 3.48Å; H81-D318 VanDerWaalsContact NE2-C 3.32Å; H81-Q319 VanDerWaalsContact CE1-CA 3.49Å; H81-Q319 WeakPolarHBondContact CE1-CA 3.23Å; H81-Q319 PolarHBondContact CE1-N 3.23Å; H81-Q319 VanDerWaalsContact CE1-N 3.28Å; H81-Q319 PolarHBondContact NE2-N 3.01Å; H81-A322 HydrophobicContact CB-CB 3.81Å
82V97.1Very high94.6Very high27 Ų2722.3 Ų22.316%0.16412%0.123CC..EExtended strand (participates in β ladder)trans-120.2117.5164.4-177.80000108.3I65 L79 F90 Y317I65-V82 HydrophobicContact CD1-CG1 4.06Å; I65-V82 HydrophobicContact CG2-CG2 3.9Å; L79-V82 HydrophobicContact CD1-CG2 3.95Å; L79-V82 HydrophobicContact CD2-CG2 3.89Å; L79-V82 HydrophobicContact CG-CG2 4.35Å; V82-F90 WeakPolarHBondContact CA-O 3.34Å; V82-Y317 PolarHBondContact N-O 3.23Å
83I95.9Very high94.8Very high11 Ų1123 Ų236%0.05613%0.126CC..EExtended strand (participates in β ladder)trans-109.6118.1172.8-55.4173.9000107.3E13 L14 Y17 Y18 H81 T85 F90E13-I83 HydrophobicContact CB-CG2 4.26Å; E13-I83 HydrophobicContact CG-CG2 3.92Å; L14-I83 HydrophobicContact CD1-CD1 4Å; Y17-I83 HydrophobicContact CD2-CD1 4.16Å; Y18-I83 HydrophobicContact CE2-CD1 4.36Å; H81-I83 WeakPolarHBondContact NE2-CG1 3.41Å; I83-T85 HydrophobicContact CG2-CG2 4.35Å; I83-F90 HydrophobicContact CB-CB 4.2Å; I83-F90 HydrophobicContact CB-CD2 4.05Å; I83-F90 HydrophobicContact CG2-CD2 4.12Å; I83-F90 PolarHBondContact N-O 3.03Å; I83-F90 PolarHBondContact O-N 3.37Å
84E94.3Very high94.8Very high98 Ų9824.1 Ų24.146%0.45813%0.132SC..EExtended strand (participates in β ladder)trans-112.6117.6178.2-178.9167.1178.300109.3K51 K62 I89K51-E84 VanDerWaalsContact CE-OE1 3.26Å; K51-E84 WeakPolarHBondContact CE-OE1 3.39Å; K51-E84 IonicContact NZ-OE1 3.53Å; K51-E84 PolarHBondContact NZ-OE1 3.35Å; K62-E84 IonicContact NZ-OE1 2.73Å; E84-I89 HydrophobicContact CG-CG1 4.18Å
85T92.7Very high94.7Very high26 Ų2625 Ų2516%0.1613%0.134CC..  trans-104.7-177177.172.10000110.3K51 I83 T87 Q88 F90K51-T85 WeakPolarHBondContact CE-O 3.48Å; K51-T85 PolarHBondContact NZ-O 3.28Å; I83-T85 HydrophobicContact CG2-CG2 4.35Å; T85-T87 VanDerWaalsContact C-N 3.27Å; T85-T87 PolarHBondContact O-N 2.87Å; T85-T87 PolarHBondContact OG1-N 3.43Å; T85-Q88 PolarHBondContact N-O 2.89Å; T85-Q88 PolarHBondContact OG1-N 3.32Å; T85-Q88 PolarHBondContact OG1-O 3.26Å; T85-F90 HydrophobicContact CG2-CE2 3.95Å
86S91.1Very high94.5Very high113 Ų11324.6 Ų24.679%0.7913%0.134SC*.SBendtrans-63.6-31.5175.553.20000113.1
87T90.4Very high94Very high42 Ų4226.7 Ų26.726%0.25815%0.147SC..SBendtrans-111-26.3-174.652.50000114.4N50 K51 T85N50-T87 PolarHBondContact OD1-O 3.25Å; K51-T87 WeakPolarHBondContact CB-O 3.48Å; K51-T87 WeakPolarHBondContact CG-O 2.93Å; K51-T87 PolarHBondContact N-O 3.28Å; T85-T87 VanDerWaalsContact C-N 3.27Å; T85-T87 PolarHBondContact O-N 2.87Å; T85-T87 PolarHBondContact OG1-N 3.43Å
88Q92.7Very high93.4Very high37 Ų3727.7 Ų27.717%0.17316%0.158CC..EExtended strand (participates in β ladder)trans-132.6161.7-167.6-73.1168.3-21.200112.8M49 T85 F90M49-Q88 CarbonylContact O-C 3.52Å; M49-Q88 VanDerWaalsContact O-CA 3.26Å; M49-Q88 WeakPolarHBondContact O-CA 3.38Å; T85-Q88 PolarHBondContact N-O 2.89Å; T85-Q88 PolarHBondContact OG1-N 3.32Å; T85-Q88 PolarHBondContact OG1-O 3.26Å; Q88-F90 HydrophobicContact CB-CE2 4.04Å; Q88-F90 HydrophobicContact CB-CZ 4.13Å; Q88-F90 VanDerWaalsContact OE1-CZ 3.24Å
89I93.9Very high92.9Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-126.3129.5167.6-60.6177.2000107.5M49 K51 L58 V61 I65 E84M49-I89 HydrophobicContact CE-CB 4.2Å; M49-I89 HydrophobicContact CE-CG2 3.87Å; M49-I89 PolarHBondContact N-O 3.11Å; M49-I89 PolarHBondContact O-N 2.89Å; K51-I89 HydrophobicContact CG-CD1 4.38Å; K51-I89 HydrophobicContact CG-CG1 4.14Å; L58-I89 HydrophobicContact CD1-CD1 3.74Å; V61-I89 HydrophobicContact CG1-CD1 4.27Å; I65-I89 HydrophobicContact CD1-CG2 4.06Å; E84-I89 HydrophobicContact CG-CG1 4.18Å
90F95.3Very high92.4Very high3 Ų328.1 Ų28.11%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-113.3123.9172.9-52.3-89.7000109.1G10 L14 I46 K47 I48 V82 I83 T85 Q88G10-F90 WeakPolarHBondContact O-CE2 3.45Å; G10-F90 WeakPolarHBondContact O-CZ 3.36Å; L14-F90 HydrophobicContact CB-CE1 4.45Å; L14-F90 HydrophobicContact CB-CZ 4.48Å; L14-F90 HydrophobicContact CD1-CB 4.28Å; L14-F90 HydrophobicContact CD1-CD1 4.24Å; L14-F90 HydrophobicContact CD1-CG 4.25Å; L14-F90 HydrophobicContact CD2-CD1 3.8Å; L14-F90 HydrophobicContact CD2-CE1 3.81Å; L14-F90 HydrophobicContact CG-CD1 4.44Å; I46-F90 HydrophobicContact CG2-CB 4.5Å; I46-F90 HydrophobicContact CG2-CD1 4.35Å; K47-F90 WeakPolarHBondContact O-CA 3.43Å; I48-F90 HydrophobicContact CB-CD1 4.31Å; I48-F90 HydrophobicContact CB-CE1 4.45Å; I48-F90 HydrophobicContact CD1-CE1 4.42Å; I48-F90 HydrophobicContact CG1-CD1 3.97Å; I48-F90 HydrophobicContact CG1-CE1 4.21Å; I48-F90 HydrophobicContact CG2-CD1 3.94Å; I48-F90 HydrophobicContact CG2-CE1 3.67Å; V82-F90 WeakPolarHBondContact CA-O 3.34Å; I83-F90 HydrophobicContact CB-CB 4.2Å; I83-F90 HydrophobicContact CB-CD2 4.05Å; I83-F90 HydrophobicContact CG2-CD2 4.12Å; I83-F90 PolarHBondContact N-O 3.03Å; I83-F90 PolarHBondContact O-N 3.37Å; T85-F90 HydrophobicContact CG2-CE2 3.95Å; Q88-F90 HydrophobicContact CB-CE2 4.04Å; Q88-F90 HydrophobicContact CB-CZ 4.13Å; Q88-F90 VanDerWaalsContact OE1-CZ 3.24Å
91M95.6Very high91.8Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-107.6121.8167.1-65165.563.600108.7I46 K47 M49 E64 I65 M68 L79 L93I46-M91 WeakPolarHBondContact CA-O 3.49Å; K47-M91 HydrophobicContact CB-CB 4.27Å; K47-M91 HydrophobicContact CD-SD 4.24Å; K47-M91 PolarHBondContact N-O 3.13Å; K47-M91 PolarHBondContact O-N 2.97Å; M49-M91 HydrophobicContact CE-CG 4.01Å; M49-M91 HydrophobicContact CE-SD 3.58Å; M49-M91 VanDerWaalsContact CE-SD 3.58Å; E64-M91 HydrophobicContact CG-CE 4.18Å; I65-M91 HydrophobicContact CD1-CG 4.19Å; I65-M91 HydrophobicContact CD1-SD 4.04Å; I65-M91 HydrophobicContact CG1-CE 3.88Å; I65-M91 HydrophobicContact CG1-CG 4.01Å; I65-M91 HydrophobicContact CG1-SD 3.57Å; I65-M91 VanDerWaalsContact CG1-SD 3.57Å; M68-M91 HydrophobicContact SD-CE 3.59Å; M68-M91 VanDerWaalsContact SD-CE 3.59Å; L79-M91 HydrophobicContact CD1-CB 4.19Å; L79-M91 HydrophobicContact CD1-CE 4.45Å; M91-L93 HydrophobicContact CB-CD2 4.31Å; M91-L93 HydrophobicContact CB-CG 4.39Å; M91-L93 HydrophobicContact CE-CD2 4.42Å
92V97.3Very high91Very high0 Ų027 Ų270%016%0.161CC..EExtended strand (participates in β ladder)trans-97.9121176.9-174.80000108.6Y18 V44 A45 I46 Y80 H81Y18-V92 HydrophobicContact CD1-CG1 4.42Å; Y18-V92 HydrophobicContact CD2-CG2 4.39Å; Y18-V92 HydrophobicContact CE1-CG1 3.71Å; Y18-V92 HydrophobicContact CE1-CG2 4.38Å; Y18-V92 HydrophobicContact CE2-CG2 3.84Å; V44-V92 HydrophobicContact CB-CG1 3.64Å; V44-V92 HydrophobicContact CG1-CG1 3.82Å; V44-V92 HydrophobicContact CG2-CG1 3.75Å; A45-V92 WeakPolarHBondContact O-CA 3.47Å; I46-V92 HydrophobicContact CG1-CG2 4.46Å; Y80-V92 PolarHBondContact N-O 3.41Å; H81-V92 HydrophobicContact CB-CB 3.77Å; H81-V92 HydrophobicContact CB-CG2 3.83Å; H81-V92 PolarHBondContact N-O 3.15Å; H81-V92 PolarHBondContact O-N 3.37Å
93L96.2Very high90.1Very high19 Ų1927.6 Ų27.610%0.09916%0.163CC..EExtended strand (participates in β ladder)trans-127.3164.2-164.3-58.5179000111.9A45 K47 M68 R78 L79 M91 Y95A45-L93 HydrophobicContact CB-CB 4.34Å; A45-L93 PolarHBondContact N-O 2.85Å; A45-L93 PolarHBondContact O-N 3.23Å; K47-L93 HydrophobicContact CB-CD1 4.28Å; M68-L93 HydrophobicContact CE-CD2 3.73Å; M68-L93 HydrophobicContact SD-CD2 4.31Å; R78-L93 CarbonylContact O-C 3.51Å; R78-L93 WeakPolarHBondContact O-CA 3.48Å; L79-L93 HydrophobicContact CB-CD2 4.21Å; L79-L93 HydrophobicContact CD1-CD2 3.7Å; M91-L93 HydrophobicContact CB-CD2 4.31Å; M91-L93 HydrophobicContact CB-CG 4.39Å; M91-L93 HydrophobicContact CE-CD2 4.42Å; L93-Y95 PolarHBondContact O-N 3.28Å
94E94.5Very high89.4Confident33 Ų3328.1 Ų28.115%0.15416%0.164CC..EExtended strand (participates in β ladder)trans-57.6123.1169.4-171.1170.7-165.500111.6R78 Y80 K154R78-E94 HydrophobicContact CB-CB 4.32Å; R78-E94 PolarHBondContact N-OE2 3.45Å; R78-E94 PolarHBondContact O-N 3.44Å; Y80-E94 HydrophobicContact CE2-CB 4.29Å; E94-K154 VanDerWaalsContact OE1-CE 3.29Å; E94-K154 WeakPolarHBondContact OE1-CE 3.49Å; E94-K154 IonicContact OE1-NZ 3.43Å; E94-K154 PolarHBondContact OE1-NZ 3.44Å; E94-K154 IonicContact OE2-NZ 2.8Å
95Y94.1Very high88.8Confident51 Ų5123.4 Ų23.420%0.214%0.143CC..  trans-83.2119177.8173.7-119.5000110.8I24 L34 K43 L93 P97I24-Y95 HydrophobicContact CD1-CD2 3.94Å; I24-Y95 HydrophobicContact CD1-CE2 3.89Å; L34-Y95 HydrophobicContact CD1-CD1 3.95Å; L34-Y95 HydrophobicContact CD1-CD2 3.6Å; L34-Y95 HydrophobicContact CD1-CE1 3.91Å; L34-Y95 HydrophobicContact CD1-CE2 3.59Å; L34-Y95 HydrophobicContact CD1-CG 3.79Å; K43-Y95 HydrophobicContact CB-CD1 3.82Å; K43-Y95 HydrophobicContact CB-CG 4.39Å; K43-Y95 HydrophobicContact CD-CD1 4.04Å; K43-Y95 HydrophobicContact CD-CE1 3.9Å; L93-Y95 PolarHBondContact O-N 3.28Å; Y95-P97 HydrophobicContact CE1-CB 3.76Å; Y95-P97 HydrophobicContact CE1-CG 4.41Å; Y95-P97 VanDerWaalsContact O-CD 3.26Å; Y95-P97 WeakPolarHBondContact O-CD 3.29Å
96C91.4Very high88Confident12 Ų1222.4 Ų22.48%0.08114%0.136CC..  trans-106.694.5-177.2-570000109.9G98 L146 I147C96-G98 VanDerWaalsContact C-N 3.27Å; C96-G98 PolarHBondContact O-N 3.46Å; C96-L146 HydrophobicContact CB-CB 3.6Å; C96-L146 HydrophobicContact CB-CD1 3.89Å; C96-L146 HydrophobicContact CB-CG 4.42Å; C96-I147 CarbonylContact C-O 3.59Å; C96-I147 WeakPolarHBondContact CB-O 3.48Å
97P84.9Confident87.2Confident46 Ų4617.4 Ų17.430%0.29910%0.101SC..THydrogen-bonded Turntrans-75.1-8.3-172.429.9-37.2000115.1Y95 G99 A149Y95-P97 HydrophobicContact CE1-CB 3.76Å; Y95-P97 HydrophobicContact CE1-CG 4.41Å; Y95-P97 VanDerWaalsContact O-CD 3.26Å; Y95-P97 WeakPolarHBondContact O-CD 3.29Å; P97-G99 VanDerWaalsContact C-N 3.32Å; P97-A149 HydrophobicContact CG-CB 3.82Å
98G80.5Confident86.8Confident25 Ų2519 Ų1926%0.25811%0.105SC..THydrogen-bonded Turntrans-79.6-9.6178.700000114.5C96 I147C96-G98 VanDerWaalsContact C-N 3.27Å; C96-G98 PolarHBondContact O-N 3.46Å; G98-I147 VanDerWaalsContact CA-O 3.25Å; G98-I147 WeakPolarHBondContact CA-O 3.48Å; G98-I147 PolarHBondContact N-O 3.49Å
99G84.3Confident86.2Confident18 Ų1820.3 Ų20.319%0.18611%0.113CC..EExtended strand (participates in β ladder)trans81.4-163.1-178.600000113.5P97 L146 I147P97-G99 VanDerWaalsContact C-N 3.32Å; G99-L146 CarbonylContact O-C 3.6Å; G99-L146 VanDerWaalsContact O-CA 3.32Å; G99-L146 WeakPolarHBondContact O-CA 3.43Å; G99-I147 PolarHBondContact O-N 3.32Å
100E83.8Confident85.9Confident7 Ų725.8 Ų25.83%0.03313%0.134CC..EExtended strand (participates in β ladder)trans-75142.6175.8-62.5169.3-142.300110.6F102 D103 Y104 L146 V561 R653E100-F102 PolarHBondContact O-N 2.65Å; E100-D103 PolarHBondContact O-N 2.7Å; E100-D103 VanDerWaalsContact O-N 3.13Å; E100-Y104 PolarHBondContact O-N 2.97Å; E100-L146 HydrophobicContact CB-CD2 4.43Å; E100-L146 HydrophobicContact CG-CD2 3.87Å; E100-V561 HydrophobicContact CG-CB 4.14Å; E100-V561 HydrophobicContact CG-CG2 4.07Å; E100-V561 VanDerWaalsContact OE1-CB 3.32Å; E100-V561 WeakPolarHBondContact OE1-CB 3.45Å; E100-V561 WeakPolarHBondContact OE1-CG2 3.25Å; E100-V561 PolarHBondContact OE1-N 3.08Å; E100-V561 VanDerWaalsContact OE1-N 3.08Å; E100-R653 IonicContact OE1-NH2 2.69Å; E100-R653 PolarHBondContact OE1-NH2 3.43Å; E100-R653 IonicContact OE2-CZ 3.01Å; E100-R653 IonicContact OE2-NH1 3.55Å; E100-R653 IonicContact OE2-NH2 3.45Å; E100-R653 PolarHBondContact OE2-NH2 3.08Å
101L84.9Confident85.8Confident0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-57.3-29.5171.7175.459.5000111.1Y104 I105 F119 I123 L145 I147 L153 L209L101-Y104 WeakPolarHBondContact O-CB 3.47Å; L101-Y104 PolarHBondContact O-N 2.84Å; L101-I105 HydrophobicContact CG-CD1 4.49Å; L101-I105 WeakPolarHBondContact O-CG1 3.43Å; L101-I105 PolarHBondContact O-N 3.18Å; L101-I105 VanDerWaalsContact O-N 3.09Å; L101-F119 HydrophobicContact CD1-CD2 4.39Å; L101-F119 HydrophobicContact CD1-CG 4.41Å; L101-I123 HydrophobicContact CD2-CD1 4.5Å; L101-L145 HydrophobicContact CB-CB 3.98Å; L101-L145 VanDerWaalsContact CB-O 3.3Å; L101-L145 WeakPolarHBondContact CB-O 3.45Å; L101-L145 HydrophobicContact CD2-CB 4.03Å; L101-L145 HydrophobicContact CD2-CD1 3.87Å; L101-L145 PolarHBondContact N-O 3.45Å; L101-I147 HydrophobicContact CD1-CD1 4.25Å; L101-L153 HydrophobicContact CB-CD2 4.07Å; L101-L153 HydrophobicContact CD1-CD2 4.22Å; L101-L153 HydrophobicContact CD2-CD1 4.01Å; L101-L153 HydrophobicContact CD2-CD2 3.98Å; L101-L153 HydrophobicContact CG-CD2 4.31Å; L101-L209 HydrophobicContact CD1-CD2 4.13Å; L101-L209 HydrophobicContact CD2-CD2 4.1Å; L101-L209 HydrophobicContact CG-CD2 4.22Å
102F80.3Confident85.8Confident0 Ų029.2 Ų29.20%016%0.157CC..Hα-helixtrans-63.3-44.4175.5-159.3-87.2000113.6E100 Y104 I105 I106 P142 A658 W659E100-F102 PolarHBondContact O-N 2.65Å; F102-Y104 PolarHBondContact O-N 2.93Å; F102-I105 WeakPolarHBondContact O-CA 3.43Å; F102-I105 WeakPolarHBondContact O-CB 3.31Å; F102-I105 PolarHBondContact O-N 3.13Å; F102-I106 HydrophobicContact CD1-CD1 3.34Å; F102-I106 HydrophobicContact CD1-CG1 3.45Å; F102-I106 VanDerWaalsContact CD1-CG1 3.45Å; F102-I106 HydrophobicContact CE1-CD1 3.41Å; F102-I106 VanDerWaalsContact CE1-CD1 3.41Å; F102-I106 HydrophobicContact CE1-CG1 3.19Å; F102-I106 HydrophobicContact CZ-CG1 4.23Å; F102-I106 WeakPolarHBondContact O-CG1 3.3Å; F102-I106 PolarHBondContact O-N 3.43Å; F102-P142 HydrophobicContact CB-CB 3.73Å; F102-P142 HydrophobicContact CD2-CB 3.55Å; F102-P142 HydrophobicContact CD2-CG 3.85Å; F102-P142 HydrophobicContact CG-CB 4.13Å; F102-A658 HydrophobicContact CB-CB 4.37Å; F102-A658 HydrophobicContact CD1-CB 3.09Å; F102-A658 HydrophobicContact CD2-CB 4.32Å; F102-A658 HydrophobicContact CE1-CB 3.26Å; F102-A658 WeakPolarHBondContact CE1-O 3.35Å; F102-A658 HydrophobicContact CE2-CB 4.46Å; F102-A658 HydrophobicContact CG-CB 3.65Å; F102-A658 HydrophobicContact CZ-CB 3.97Å; F102-W659 AromaticContact CE2-CD2 3.73Å; F102-W659 HydrophobicContact CE2-CD2 3.73Å; F102-W659 AromaticContact CE2-CE2 3.36Å; F102-W659 HydrophobicContact CE2-CE3 4.14Å; F102-W659 HydrophobicContact CE2-CG 4.28Å; F102-W659 AromaticContact CE2-CH2 3.85Å; F102-W659 HydrophobicContact CE2-CH2 3.85Å; F102-W659 AromaticContact CE2-CZ2 3.48Å; F102-W659 HydrophobicContact CE2-CZ2 3.48Å; F102-W659 VanDerWaalsContact CE2-CZ2 3.48Å; F102-W659 HydrophobicContact CE2-CZ3 4.15Å; F102-W659 AromaticContact CE2-NE1 3.71Å; F102-W659 AromaticContact CZ-CD2 3.5Å; F102-W659 HydrophobicContact CZ-CD2 3.5Å; F102-W659 AromaticContact CZ-CE2 3.68Å; F102-W659 AromaticContact CZ-CE3 3.62Å; F102-W659 HydrophobicContact CZ-CE3 3.62Å; F102-W659 AromaticContact CZ-CG 3.99Å; F102-W659 HydrophobicContact CZ-CG 3.99Å; F102-W659 HydrophobicContact CZ-CH2 4.03Å; F102-W659 AromaticContact CZ-CZ2 3.99Å; F102-W659 HydrophobicContact CZ-CZ2 3.99Å; F102-W659 AromaticContact CZ-CZ3 3.84Å; F102-W659 HydrophobicContact CZ-CZ3 3.84Å
103D77.1Confident85.8Confident39 Ų3931 Ų3121%0.20917%0.166CC..Hα-helixtrans-64.3-24.6178-64.8-49.3000111.6E100 A107 R653E100-D103 PolarHBondContact O-N 2.7Å; E100-D103 VanDerWaalsContact O-N 3.13Å; D103-A107 WeakPolarHBondContact O-CB 3.45Å; D103-A107 PolarHBondContact O-N 2.87Å; D103-R653 VanDerWaalsContact CG-NH2 3.26Å; D103-R653 IonicContact OD1-CZ 3.7Å; D103-R653 IonicContact OD1-NE 3.53Å; D103-R653 PolarHBondContact OD1-NE 2.62Å; D103-R653 IonicContact OD1-NH2 3.77Å; D103-R653 PolarHBondContact OD1-NH2 3.3Å; D103-R653 IonicContact OD2-CZ 3.72Å; D103-R653 IonicContact OD2-NH2 2.69Å; D103-R653 PolarHBondContact OD2-NH2 3.28Å
104Y81.9Confident85.8Confident21 Ų2133.9 Ų33.98%0.08218%0.179CC..Hα-helixtrans-72.7-37.1169.5-164.9-99.4000113E100 L101 F102 K108 L111 E115 F119 I147 Y584E100-Y104 PolarHBondContact O-N 2.97Å; L101-Y104 WeakPolarHBondContact O-CB 3.47Å; L101-Y104 PolarHBondContact O-N 2.84Å; F102-Y104 PolarHBondContact O-N 2.93Å; Y104-K108 HydrophobicContact CD1-CD 4.42Å; Y104-K108 HydrophobicContact CE1-CD 3.83Å; Y104-K108 PolarHBondContact O-N 2.93Å; Y104-K108 PolarHBondContact OH-NZ 3.44Å; Y104-L111 HydrophobicContact CD1-CD1 4.32Å; Y104-L111 HydrophobicContact CD1-CD2 3.84Å; Y104-L111 HydrophobicContact CE1-CD1 4.44Å; Y104-L111 HydrophobicContact CE1-CD2 3.77Å; Y104-E115 VanDerWaalsContact CE1-OE1 3.27Å; Y104-E115 WeakPolarHBondContact CE1-OE1 3.27Å; Y104-E115 PolarHBondContact OH-OE1 3.06Å; Y104-F119 HydrophobicContact CD1-CE2 4.07Å; Y104-F119 HydrophobicContact CD1-CZ 4.3Å; Y104-F119 AromaticContact CE1-CE2 3.67Å; Y104-F119 HydrophobicContact CE1-CE2 3.67Å; Y104-F119 AromaticContact CE1-CZ 3.96Å; Y104-F119 HydrophobicContact CE1-CZ 3.96Å; Y104-I147 HydrophobicContact CD2-CD1 4.26Å; Y104-I147 HydrophobicContact CG-CD1 4.01Å; Y104-Y584 AromaticContact CD2-CD2 3.78Å; Y104-Y584 HydrophobicContact CD2-CD2 3.78Å; Y104-Y584 AromaticContact CD2-CE2 3.64Å; Y104-Y584 HydrophobicContact CD2-CE2 3.64Å; Y104-Y584 HydrophobicContact CE2-CD2 4.19Å; Y104-Y584 HydrophobicContact CE2-CE2 4.33Å; Y104-Y584 HydrophobicContact CG-CE2 4.46Å
105I82.3Confident85.8Confident0 Ų034.2 Ų34.20%018%0.18CC..Hα-helixtrans-67.3-51.8174.1-60.8166000110.9L101 F102 A107 K108 D109 P142 L209L101-I105 HydrophobicContact CG-CD1 4.49Å; L101-I105 WeakPolarHBondContact O-CG1 3.43Å; L101-I105 PolarHBondContact O-N 3.18Å; L101-I105 VanDerWaalsContact O-N 3.09Å; F102-I105 WeakPolarHBondContact O-CA 3.43Å; F102-I105 WeakPolarHBondContact O-CB 3.31Å; F102-I105 PolarHBondContact O-N 3.13Å; I105-A107 VanDerWaalsContact C-N 3.26Å; I105-A107 PolarHBondContact O-N 2.99Å; I105-K108 CarbonylContact O-C 3.58Å; I105-K108 PolarHBondContact O-N 3.26Å; I105-D109 CarbonylContact O-C 3.48Å; I105-D109 WeakPolarHBondContact O-CA 3.32Å; I105-D109 PolarHBondContact O-N 3.12Å; I105-P142 HydrophobicContact CD1-CB 4.44Å; I105-P142 HydrophobicContact CD1-CG 4.41Å; I105-L209 HydrophobicContact CD1-CD2 3.59Å; I105-L209 HydrophobicContact CD1-CG 4.17Å; I105-L209 HydrophobicContact CG1-CD2 3.85Å
106I76Confident85.9Confident5 Ų531.8 Ų31.83%0.02617%0.171CC..Hα-helixtrans-53-50.3-179.8-59.6158.1000110F102 K108 D109 R651 Y661 K662F102-I106 HydrophobicContact CD1-CD1 3.34Å; F102-I106 HydrophobicContact CD1-CG1 3.45Å; F102-I106 VanDerWaalsContact CD1-CG1 3.45Å; F102-I106 HydrophobicContact CE1-CD1 3.41Å; F102-I106 VanDerWaalsContact CE1-CD1 3.41Å; F102-I106 HydrophobicContact CE1-CG1 3.19Å; F102-I106 HydrophobicContact CZ-CG1 4.23Å; F102-I106 WeakPolarHBondContact O-CG1 3.3Å; F102-I106 PolarHBondContact O-N 3.43Å; I106-K108 PolarHBondContact O-N 2.95Å; I106-D109 WeakPolarHBondContact O-CA 3.49Å; I106-D109 PolarHBondContact O-N 3.31Å; I106-D109 VanDerWaalsContact O-OD1 3.13Å; I106-R651 PolarHBondContact O-NH2 3.33Å; I106-R651 VanDerWaalsContact O-NH2 3.13Å; I106-Y661 HydrophobicContact CD1-CD1 3.56Å; I106-Y661 HydrophobicContact CD1-CE1 3.83Å; I106-Y661 HydrophobicContact CG2-CD1 4.44Å; I106-Y661 HydrophobicContact CG2-CE1 4.06Å; I106-K662 HydrophobicContact CG1-CB 4.31Å; I106-K662 HydrophobicContact CG2-CB 4.49Å; I106-K662 HydrophobicContact CG2-CG 4.24Å
107A74Confident86.2Confident7 Ų731.2 Ų31.26%0.05817%0.167CC..Hα-helixtrans-61-43.3-174.300000112.3D103 I105 D109 Y584 N585 R651D103-A107 WeakPolarHBondContact O-CB 3.45Å; D103-A107 PolarHBondContact O-N 2.87Å; I105-A107 VanDerWaalsContact C-N 3.26Å; I105-A107 PolarHBondContact O-N 2.99Å; A107-D109 VanDerWaalsContact C-N 3.26Å; A107-D109 PolarHBondContact O-N 3.45Å; A107-Y584 CarbonylContact C-O 3.5Å; A107-Y584 VanDerWaalsContact C-O 3.26Å; A107-Y584 HydrophobicContact CB-CD2 3.34Å; A107-Y584 HydrophobicContact CB-CE2 3.98Å; A107-Y584 HydrophobicContact CB-CG 4.18Å; A107-N585 HydrophobicContact CB-CB 3.8Å; A107-R651 PolarHBondContact O-NH2 3.44Å
108K81.5Confident86.8Confident75 Ų7531.7 Ų31.733%0.32617%0.169SC..Hα-helixtrans-81.7-1.5174.7-74.2-170.1154.9-166.60114.4Y104 I105 I106 R110 L111 E115Y104-K108 HydrophobicContact CD1-CD 4.42Å; Y104-K108 HydrophobicContact CE1-CD 3.83Å; Y104-K108 PolarHBondContact O-N 2.93Å; Y104-K108 PolarHBondContact OH-NZ 3.44Å; I105-K108 CarbonylContact O-C 3.58Å; I105-K108 PolarHBondContact O-N 3.26Å; I106-K108 PolarHBondContact O-N 2.95Å; K108-R110 PolarHBondContact O-N 3.28Å; K108-R110 VanDerWaalsContact O-O 3.13Å; K108-L111 HydrophobicContact CB-CD2 3.94Å; K108-L111 HydrophobicContact CD-CD2 3.47Å; K108-L111 VanDerWaalsContact CD-CD2 3.47Å; K108-L111 HydrophobicContact CG-CD2 4.26Å; K108-E115 IonicContact NZ-OE1 2.6Å; K108-E115 PolarHBondContact NZ-OE1 3.34Å; K108-E115 IonicContact NZ-OE2 2.82Å; K108-E115 PolarHBondContact NZ-OE2 3.49Å
109D81.1Confident87.5Confident66 Ų6630.9 Ų30.935%0.35316%0.158SC..SBendtrans59.5-46.5-165.9-47.9-48.8000114.5I105 I106 A107 G212 R651 K662I105-D109 CarbonylContact O-C 3.48Å; I105-D109 WeakPolarHBondContact O-CA 3.32Å; I105-D109 PolarHBondContact O-N 3.12Å; I106-D109 WeakPolarHBondContact O-CA 3.49Å; I106-D109 PolarHBondContact O-N 3.31Å; I106-D109 VanDerWaalsContact O-OD1 3.13Å; A107-D109 VanDerWaalsContact C-N 3.26Å; A107-D109 PolarHBondContact O-N 3.45Å; D109-G212 WeakPolarHBondContact O-CA 3.44Å; D109-R651 IonicContact OD1-CZ 2.66Å; D109-R651 VanDerWaalsContact OD1-CZ 3.27Å; D109-R651 IonicContact OD1-NH1 2.63Å; D109-R651 PolarHBondContact OD1-NH1 3.49Å; D109-R651 IonicContact OD1-NH2 3.4Å; D109-R651 PolarHBondContact OD1-NH2 2.92Å; D109-R651 IonicContact OD2-NH2 2.72Å; D109-K662 PolarHBondContact O-NZ 2.71Å
110R87.9Confident88.2Confident114 Ų11430 Ų3043%0.4315%0.15SC..SBendtrans-151.8162.2166.268.3-177.6-179.1-81.81.3111.5K108K108-R110 PolarHBondContact O-N 3.28Å; K108-R110 VanDerWaalsContact O-O 3.13Å
111L92.6Very high88.8Confident7 Ų730.9 Ų30.94%0.03715%0.153CC..  trans-96.9151.4178.5-55.6-172.3000112.6Y104 K108 E115 T116 F119 L209Y104-L111 HydrophobicContact CD1-CD1 4.32Å; Y104-L111 HydrophobicContact CD1-CD2 3.84Å; Y104-L111 HydrophobicContact CE1-CD1 4.44Å; Y104-L111 HydrophobicContact CE1-CD2 3.77Å; K108-L111 HydrophobicContact CB-CD2 3.94Å; K108-L111 HydrophobicContact CD-CD2 3.47Å; K108-L111 VanDerWaalsContact CD-CD2 3.47Å; K108-L111 HydrophobicContact CG-CD2 4.26Å; L111-E115 HydrophobicContact CD1-CG 4.43Å; L111-T116 VanDerWaalsContact CB-OG1 3.31Å; L111-T116 WeakPolarHBondContact CB-OG1 3.48Å; L111-F119 HydrophobicContact CD1-CD2 3.81Å; L111-F119 HydrophobicContact CD1-CE2 4.01Å; L111-L209 WeakPolarHBondContact CB-O 3.34Å; L111-L209 HydrophobicContact CD1-CD2 3.58Å; L111-L209 HydrophobicContact CG-CD2 4.47Å; L111-L209 PolarHBondContact N-O 3.33Å
112S95.1Very high89.4Confident68 Ų6831.8 Ų31.848%0.47616%0.157SC..  trans-70.8151.3172.370.80000111.2Q114 E115 T116S112-Q114 PolarHBondContact O-N 2.73Å; S112-Q114 VanDerWaalsContact O-N 3.14Å; S112-E115 PolarHBondContact O-N 3.34Å; S112-E115 WeakPolarHBondContact OG-CB 3.36Å; S112-E115 PolarHBondContact OG-N 2.91Å; S112-T116 PolarHBondContact O-N 2.87Å; S112-T116 PolarHBondContact O-OG1 3.28Å
113E96.5Very high90.3Very high39 Ų3932 Ų3218%0.18216%0.157CC..Hα-helixtrans-52.2-41.8-178.6-171-166.496.200112.9R117 L210 S240 S243 W269 K272E113-R117 WeakPolarHBondContact O-CB 3.15Å; E113-R117 PolarHBondContact O-N 3.32Å; E113-R117 IonicContact OE1-CZ 2.69Å; E113-R117 IonicContact OE1-NH1 3.32Å; E113-R117 IonicContact OE1-NH2 3.63Å; E113-R117 PolarHBondContact OE1-NH2 3.25Å; E113-L210 HydrophobicContact CB-CD2 4.37Å; E113-L210 HydrophobicContact CG-CD2 4.45Å; E113-S240 WeakPolarHBondContact OE2-CB 3.33Å; E113-S240 PolarHBondContact OE2-OG 3.1Å; E113-S243 PolarHBondContact OE2-OG 2.97Å; E113-S243 VanDerWaalsContact OE2-OG 3.13Å; E113-W269 HydrophobicContact CG-CZ2 3.77Å; E113-K272 IonicContact OE1-NZ 3.06Å; E113-K272 PolarHBondContact OE1-NZ 3.13Å
114Q96.3Very high91.3Very high78 Ų7830.1 Ų30.136%0.36415%0.148SC..Hα-helixtrans-69.1-38.3179.6179.761.4-600112.5S112 R117 V118 D273S112-Q114 PolarHBondContact O-N 2.73Å; S112-Q114 VanDerWaalsContact O-N 3.14Å; Q114-R117 WeakPolarHBondContact O-CB 3.47Å; Q114-R117 PolarHBondContact O-N 2.97Å; Q114-V118 WeakPolarHBondContact O-CG2 3.45Å; Q114-V118 PolarHBondContact O-N 2.81Å; Q114-V118 VanDerWaalsContact O-N 3.16Å; Q114-D273 PolarHBondContact OE1-OD2 3.26Å
115E95Very high92.1Very high40 Ų4029.2 Ų29.219%0.18715%0.145CC..Hα-helixtrans-70.8-41.6175.7-177.5167.6-151.300111.6Y104 K108 L111 S112 R117 V118 F119Y104-E115 VanDerWaalsContact CE1-OE1 3.27Å; Y104-E115 WeakPolarHBondContact CE1-OE1 3.27Å; Y104-E115 PolarHBondContact OH-OE1 3.06Å; K108-E115 IonicContact NZ-OE1 2.6Å; K108-E115 PolarHBondContact NZ-OE1 3.34Å; K108-E115 IonicContact NZ-OE2 2.82Å; K108-E115 PolarHBondContact NZ-OE2 3.49Å; L111-E115 HydrophobicContact CD1-CG 4.43Å; S112-E115 PolarHBondContact O-N 3.34Å; S112-E115 WeakPolarHBondContact OG-CB 3.36Å; S112-E115 PolarHBondContact OG-N 2.91Å; E115-R117 VanDerWaalsContact C-N 3.26Å; E115-R117 PolarHBondContact O-N 2.85Å; E115-V118 WeakPolarHBondContact O-CB 3.11Å; E115-V118 PolarHBondContact O-N 2.96Å; E115-F119 HydrophobicContact CG-CD2 4.2Å; E115-F119 HydrophobicContact CG-CE2 3.87Å; E115-F119 WeakPolarHBondContact O-CD2 3.47Å; E115-F119 PolarHBondContact O-N 3Å
116T96.7Very high92.8Very high0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-59.1-39171.6-59.10000111.2L111 S112 F119 F120 L206 L209 L210 W269L111-T116 VanDerWaalsContact CB-OG1 3.31Å; L111-T116 WeakPolarHBondContact CB-OG1 3.48Å; S112-T116 PolarHBondContact O-N 2.87Å; S112-T116 PolarHBondContact O-OG1 3.28Å; T116-F119 PolarHBondContact O-N 2.8Å; T116-F120 WeakPolarHBondContact O-CB 3.25Å; T116-F120 PolarHBondContact O-N 3.21Å; T116-L206 HydrophobicContact CG2-CD1 3.64Å; T116-L209 HydrophobicContact CG2-CB 3.52Å; T116-L209 HydrophobicContact CG2-CD1 4.07Å; T116-L209 HydrophobicContact CG2-CG 4.36Å; T116-L210 HydrophobicContact CG2-CD2 3.84Å; T116-L210 HydrophobicContact CG2-CG 3.98Å; T116-W269 HydrophobicContact CG2-CH2 4.15Å
117R97.6Very high93.8Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-61.9-42.5175.3-176.7179.2-65.1111.811.2112.7E113 Q114 E115 F119 F120 R121 W269 K272 D273 Y274E113-R117 WeakPolarHBondContact O-CB 3.15Å; E113-R117 PolarHBondContact O-N 3.32Å; E113-R117 IonicContact OE1-CZ 2.69Å; E113-R117 IonicContact OE1-NH1 3.32Å; E113-R117 IonicContact OE1-NH2 3.63Å; E113-R117 PolarHBondContact OE1-NH2 3.25Å; Q114-R117 WeakPolarHBondContact O-CB 3.47Å; Q114-R117 PolarHBondContact O-N 2.97Å; E115-R117 VanDerWaalsContact C-N 3.26Å; E115-R117 PolarHBondContact O-N 2.85Å; R117-F119 VanDerWaalsContact C-N 3.31Å; R117-F119 PolarHBondContact O-N 2.89Å; R117-F120 PolarHBondContact O-N 3.18Å; R117-R121 HydrophobicContact CG-CG 4.36Å; R117-R121 WeakPolarHBondContact O-CB 3.26Å; R117-R121 WeakPolarHBondContact O-CG 3.38Å; R117-R121 PolarHBondContact O-N 3.19Å; R117-W269 HydrophobicContact CB-CH2 3.99Å; R117-W269 HydrophobicContact CB-CZ3 4.29Å; R117-W269 HydrophobicContact CG-CZ3 4.43Å; R117-W269 PolarHBondContact NE-O 2.61Å; R117-W269 PolarHBondContact NH2-O 3.4Å; R117-K272 WeakPolarHBondContact CD-O 3.45Å; R117-K272 PolarHBondContact NE-O 3.38Å; R117-D273 IonicContact NH1-OD2 3.27Å; R117-D273 PolarHBondContact NH1-OD2 3.29Å; R117-Y274 HydrophobicContact CG-CD2 4.34Å; R117-Y274 HydrophobicContact CG-CE2 3.9Å
118V96.6Very high94.9Very high56 Ų5629.3 Ų29.334%0.33915%0.146SC..Hα-helixtrans-56.9-44.7175.7172.20000111Q114 E115 Q122 Y274Q114-V118 WeakPolarHBondContact O-CG2 3.45Å; Q114-V118 PolarHBondContact O-N 2.81Å; Q114-V118 VanDerWaalsContact O-N 3.16Å; E115-V118 WeakPolarHBondContact O-CB 3.11Å; E115-V118 PolarHBondContact O-N 2.96Å; V118-Q122 WeakPolarHBondContact O-CG 3.42Å; V118-Q122 PolarHBondContact O-NE2 2.95Å; V118-Y274 WeakPolarHBondContact CG2-OH 3.48Å
119F96.3Very high95.6Very high9 Ų926.5 Ų26.54%0.03913%0.133CC..Hα-helixtrans-74.7-43.2177.8-71-54000112.9L101 Y104 L111 E115 T116 R117 R121 Q122 I123 L153L101-F119 HydrophobicContact CD1-CD2 4.39Å; L101-F119 HydrophobicContact CD1-CG 4.41Å; Y104-F119 HydrophobicContact CD1-CE2 4.07Å; Y104-F119 HydrophobicContact CD1-CZ 4.3Å; Y104-F119 AromaticContact CE1-CE2 3.67Å; Y104-F119 HydrophobicContact CE1-CE2 3.67Å; Y104-F119 AromaticContact CE1-CZ 3.96Å; Y104-F119 HydrophobicContact CE1-CZ 3.96Å; L111-F119 HydrophobicContact CD1-CD2 3.81Å; L111-F119 HydrophobicContact CD1-CE2 4.01Å; E115-F119 HydrophobicContact CG-CD2 4.2Å; E115-F119 HydrophobicContact CG-CE2 3.87Å; E115-F119 WeakPolarHBondContact O-CD2 3.47Å; E115-F119 PolarHBondContact O-N 3Å; T116-F119 PolarHBondContact O-N 2.8Å; R117-F119 VanDerWaalsContact C-N 3.31Å; R117-F119 PolarHBondContact O-N 2.89Å; F119-R121 PolarHBondContact O-N 3.42Å; F119-Q122 WeakPolarHBondContact O-CA 3.46Å; F119-Q122 WeakPolarHBondContact O-CB 2.98Å; F119-Q122 PolarHBondContact O-N 3.43Å; F119-I123 PolarHBondContact O-N 2.66Å; F119-I123 VanDerWaalsContact O-N 3.07Å; F119-L153 HydrophobicContact CB-CD1 3.84Å; F119-L153 HydrophobicContact CD1-CD1 3.74Å; F119-L153 HydrophobicContact CD1-CD2 4.24Å; F119-L153 HydrophobicContact CD1-CG 3.73Å; F119-L153 HydrophobicContact CE1-CG 4.34Å; F119-L153 HydrophobicContact CG-CD1 4.17Å
120F97.8Very high96.3Very high0 Ų023.4 Ų23.40%012%0.117CC..Hα-helixtrans-66.8-34.6-176.8-167.7-100.7000112.6T116 R117 Q122 I123 V124 M202 L206 L246 M250 W269 V270T116-F120 WeakPolarHBondContact O-CB 3.25Å; T116-F120 PolarHBondContact O-N 3.21Å; R117-F120 PolarHBondContact O-N 3.18Å; F120-Q122 PolarHBondContact O-N 3.37Å; F120-I123 HydrophobicContact CD2-CD1 4.48Å; F120-I123 PolarHBondContact O-N 2.98Å; F120-V124 HydrophobicContact CD1-CG2 3.76Å; F120-V124 HydrophobicContact CE1-CG2 3.43Å; F120-V124 VanDerWaalsContact CE1-CG2 3.43Å; F120-V124 HydrophobicContact CG-CG2 4.5Å; F120-V124 HydrophobicContact CZ-CG2 3.91Å; F120-V124 WeakPolarHBondContact O-CB 3.43Å; F120-V124 VanDerWaalsContact O-CG2 3.31Å; F120-V124 WeakPolarHBondContact O-CG2 3.36Å; F120-V124 PolarHBondContact O-N 3.06Å; F120-M202 HydrophobicContact CE2-CB 4.42Å; F120-M202 HydrophobicContact CZ-CE 4.19Å; F120-L206 HydrophobicContact CB-CD1 4.47Å; F120-L206 HydrophobicContact CD2-CB 4.13Å; F120-L206 HydrophobicContact CD2-CD1 3.91Å; F120-L206 HydrophobicContact CD2-CG 4.47Å; F120-L206 HydrophobicContact CE2-CB 3.83Å; F120-L206 HydrophobicContact CE2-CD1 4.29Å; F120-L206 HydrophobicContact CE2-CD2 4.36Å; F120-L206 HydrophobicContact CE2-CG 4.38Å; F120-L206 HydrophobicContact CG-CD1 4.05Å; F120-L206 HydrophobicContact CZ-CB 4.46Å; F120-L206 HydrophobicContact CZ-CD2 4.23Å; F120-L246 HydrophobicContact CE1-CD2 4.29Å; F120-M250 HydrophobicContact CE2-CE 4.25Å; F120-M250 HydrophobicContact CZ-CE 3.67Å; F120-M250 HydrophobicContact CZ-SD 3.9Å; F120-W269 HydrophobicContact CB-CH2 4.43Å; F120-W269 HydrophobicContact CB-CZ3 4.21Å; F120-W269 AromaticContact CD1-CZ3 3.79Å; F120-W269 HydrophobicContact CD1-CZ3 3.79Å; F120-W269 HydrophobicContact CG-CZ3 4.23Å; F120-V270 HydrophobicContact CD1-CG2 4.25Å; F120-V270 HydrophobicContact CE1-CG2 4.19Å
121R98Very high96.6Very high25 Ų2519 Ų199%0.09410%0.101CC..Hα-helixtrans-58.2-35.9169.6-75.6179.167.697.7-2.5112.2R117 F119 S125 V270 Y274 S276 P277 V278R117-R121 HydrophobicContact CG-CG 4.36Å; R117-R121 WeakPolarHBondContact O-CB 3.26Å; R117-R121 WeakPolarHBondContact O-CG 3.38Å; R117-R121 PolarHBondContact O-N 3.19Å; F119-R121 PolarHBondContact O-N 3.42Å; R121-S125 WeakPolarHBondContact O-CB 3.42Å; R121-S125 PolarHBondContact O-N 3.23Å; R121-V270 HydrophobicContact CG-CG1 3.65Å; R121-V270 PolarHBondContact NH1-O 3.29Å; R121-Y274 VanDerWaalsContact CD-CE2 3.42Å; R121-S276 PolarHBondContact NH1-O 3.36Å; R121-S276 PolarHBondContact NH2-O 2.87Å; R121-P277 PolarHBondContact NH2-O 3.12Å; R121-V278 HydrophobicContact CB-CG2 4.17Å; R121-V278 HydrophobicContact CG-CG2 3.94Å; R121-V278 VanDerWaalsContact O-CG1 3.22Å; R121-V278 WeakPolarHBondContact O-CG1 3.23Å
122Q97.9Very high96.7Very high19 Ų1921.5 Ų21.59%0.08912%0.119CC..Hα-helixtrans-74.7-35.6177.8-59.8174.460.100112.1H75 V118 F119 F120 S125 A126 L153H75-Q122 PolarHBondContact CE1-OE1 2.72Å; H75-Q122 PolarHBondContact ND1-OE1 2.87Å; V118-Q122 WeakPolarHBondContact O-CG 3.42Å; V118-Q122 PolarHBondContact O-NE2 2.95Å; F119-Q122 WeakPolarHBondContact O-CA 3.46Å; F119-Q122 WeakPolarHBondContact O-CB 2.98Å; F119-Q122 PolarHBondContact O-N 3.43Å; F120-Q122 PolarHBondContact O-N 3.37Å; Q122-S125 WeakPolarHBondContact O-CB 3.25Å; Q122-S125 PolarHBondContact O-N 3.26Å; Q122-A126 WeakPolarHBondContact O-CB 3.34Å; Q122-A126 PolarHBondContact O-N 2.86Å; Q122-L153 HydrophobicContact CB-CB 4.33Å
123I97.8Very high96.6Very high3 Ų321.7 Ų21.72%0.01511%0.112CC..Hα-helixtrans-65.7-47.5173.2-64.6154.9000110.4L101 F119 F120 S125 A126 M127 L140 L145 L153 M202 L205 L209L101-I123 HydrophobicContact CD2-CD1 4.5Å; F119-I123 PolarHBondContact O-N 2.66Å; F119-I123 VanDerWaalsContact O-N 3.07Å; F120-I123 HydrophobicContact CD2-CD1 4.48Å; F120-I123 PolarHBondContact O-N 2.98Å; I123-S125 VanDerWaalsContact C-N 3.33Å; I123-S125 PolarHBondContact O-N 2.88Å; I123-A126 PolarHBondContact O-N 3.48Å; I123-M127 WeakPolarHBondContact O-CB 3.48Å; I123-M127 WeakPolarHBondContact O-CG 3.34Å; I123-M127 PolarHBondContact O-N 3.48Å; I123-L140 HydrophobicContact CG2-CD2 4.04Å; I123-L145 HydrophobicContact CD1-CD1 4.03Å; I123-L145 HydrophobicContact CG1-CD1 4.03Å; I123-L145 HydrophobicContact CG1-CD2 4.2Å; I123-L153 HydrophobicContact CD1-CD1 3.9Å; I123-L153 HydrophobicContact CG1-CD1 3.76Å; I123-M202 HydrophobicContact CG2-CE 4.38Å; I123-M202 HydrophobicContact CG2-CG 4.4Å; I123-L205 HydrophobicContact CD1-CD2 3.77Å; I123-L205 HydrophobicContact CD1-CG 4.37Å; I123-L205 HydrophobicContact CG1-CD2 4.42Å; I123-L205 HydrophobicContact CG2-CD2 4.07Å; I123-L209 HydrophobicContact CD1-CD1 4.31Å
124V98.2Very high96.4Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-59-43.8174.4171.30000110.9F120 M127 A128 M202 L264 L265 V278F120-V124 HydrophobicContact CD1-CG2 3.76Å; F120-V124 HydrophobicContact CE1-CG2 3.43Å; F120-V124 VanDerWaalsContact CE1-CG2 3.43Å; F120-V124 HydrophobicContact CG-CG2 4.5Å; F120-V124 HydrophobicContact CZ-CG2 3.91Å; F120-V124 WeakPolarHBondContact O-CB 3.43Å; F120-V124 VanDerWaalsContact O-CG2 3.31Å; F120-V124 WeakPolarHBondContact O-CG2 3.36Å; F120-V124 PolarHBondContact O-N 3.06Å; V124-M127 PolarHBondContact O-N 2.57Å; V124-A128 VanDerWaalsContact O-CB 3.24Å; V124-A128 WeakPolarHBondContact O-CB 3.43Å; V124-A128 PolarHBondContact O-N 2.68Å; V124-M202 HydrophobicContact CB-CE 4.33Å; V124-M202 HydrophobicContact CG2-CE 3.61Å; V124-L264 HydrophobicContact CG1-CB 3.92Å; V124-L264 HydrophobicContact CG2-CB 4.12Å; V124-L264 HydrophobicContact CG2-CD1 4.42Å; V124-L265 HydrophobicContact CG1-CD2 3.98Å; V124-V278 HydrophobicContact CB-CG1 4.37Å; V124-V278 HydrophobicContact CG1-CB 4.26Å; V124-V278 HydrophobicContact CG1-CG1 4.09Å; V124-V278 HydrophobicContact CG1-CG2 4.17Å
125S98.2Very high96.3Very high3 Ų317.6 Ų17.62%0.02110%0.097CC..Hα-helixtrans-57-51.7175175.50000111.8H73 R121 Q122 I123 Y129 E279H73-S125 PolarHBondContact CE1-OG 3.32Å; H73-S125 PolarHBondContact NE2-OG 2.89Å; R121-S125 WeakPolarHBondContact O-CB 3.42Å; R121-S125 PolarHBondContact O-N 3.23Å; Q122-S125 WeakPolarHBondContact O-CB 3.25Å; Q122-S125 PolarHBondContact O-N 3.26Å; I123-S125 VanDerWaalsContact C-N 3.33Å; I123-S125 PolarHBondContact O-N 2.88Å; S125-Y129 PolarHBondContact O-N 3.16Å; S125-Y129 VanDerWaalsContact O-N 3.14Å; S125-E279 VanDerWaalsContact CB-O 3.32Å; S125-E279 WeakPolarHBondContact CB-O 3.49Å; S125-E279 PolarHBondContact OG-O 2.85Å
126A97.4Very high96.3Very high2 Ų215.8 Ų15.82%0.0179%0.089CC..Hα-helixtrans-61.3-46.8178.100000112.6H75 V76 Q122 I123 Y129 V130 L155H75-A126 HydrophobicContact CB-CB 3.96Å; V76-A126 HydrophobicContact CG2-CB 4.35Å; Q122-A126 WeakPolarHBondContact O-CB 3.34Å; Q122-A126 PolarHBondContact O-N 2.86Å; I123-A126 PolarHBondContact O-N 3.48Å; A126-Y129 WeakPolarHBondContact O-CB 3.4Å; A126-Y129 PolarHBondContact O-N 2.88Å; A126-V130 VanDerWaalsContact O-CG2 3.27Å; A126-V130 WeakPolarHBondContact O-CG2 3.49Å; A126-V130 PolarHBondContact O-N 3.21Å; A126-L155 HydrophobicContact CB-CD2 4.11Å
127M97.4Very high96.1Very high0 Ų015.8 Ų15.80%09%0.089CC..Hα-helixtrans-69.4-38.3-177.6-68.5-51.7-52.700112.5I123 V124 Y129 V130 H131 H137 L140 L155 D198 M202 V261I123-M127 WeakPolarHBondContact O-CB 3.48Å; I123-M127 WeakPolarHBondContact O-CG 3.34Å; I123-M127 PolarHBondContact O-N 3.48Å; V124-M127 PolarHBondContact O-N 2.57Å; M127-Y129 VanDerWaalsContact C-N 3.32Å; M127-Y129 PolarHBondContact O-N 3.38Å; M127-V130 PolarHBondContact O-N 3.13Å; M127-H131 WeakPolarHBondContact CE-NE2 3.4Å; M127-H131 VanDerWaalsContact O-CB 3.29Å; M127-H131 WeakPolarHBondContact O-CB 3.42Å; M127-H131 PolarHBondContact O-CD2 3.39Å; M127-H131 VanDerWaalsContact O-CG 3.23Å; M127-H131 PolarHBondContact O-N 3.02Å; M127-H137 HydrophobicContact CE-CB 3.94Å; M127-H137 HydrophobicContact SD-CB 4.35Å; M127-L140 HydrophobicContact CG-CD2 4.26Å; M127-L140 HydrophobicContact SD-CD1 4.35Å; M127-L140 HydrophobicContact SD-CD2 4.43Å; M127-L155 HydrophobicContact SD-CD2 3.8Å; M127-D198 HydrophobicContact CE-CB 3.92Å; M127-D198 VanDerWaalsContact CE-OD2 3.24Å; M127-D198 WeakPolarHBondContact CE-OD2 3.35Å; M127-M202 HydrophobicContact CB-CE 4.42Å; M127-M202 HydrophobicContact CB-SD 4Å; M127-M202 HydrophobicContact CG-CG 4.4Å; M127-M202 HydrophobicContact CG-SD 3.92Å; M127-V261 HydrophobicContact CB-CG1 4.36Å
128A97.1Very high95.8Very high11 Ų1116.8 Ų16.89%0.0919%0.092CC..Hα-helixtrans-60.1-42.7173.100000111.6V124 S132 V261 L265 W280V124-A128 VanDerWaalsContact O-CB 3.24Å; V124-A128 WeakPolarHBondContact O-CB 3.43Å; V124-A128 PolarHBondContact O-N 2.68Å; A128-S132 WeakPolarHBondContact O-CB 3.21Å; A128-S132 PolarHBondContact O-N 3.47Å; A128-V261 HydrophobicContact CB-CG1 3.84Å; A128-L265 HydrophobicContact CB-CD2 3.94Å; A128-W280 HydrophobicContact CB-CB 3.54Å; A128-W280 HydrophobicContact CB-CD2 4.23Å; A128-W280 HydrophobicContact CB-CE3 4.47Å; A128-W280 HydrophobicContact CB-CG 3.84Å
129Y96.4Very high95.4Very high17 Ų1714.4 Ų14.47%0.0678%0.078CC..Hα-helixtrans-62.1-52.2172.8175.5-99.2000112.3L71 S72 H73 S125 A126 M127 H131 S132 Q133L71-Y129 HydrophobicContact CB-CE1 4.22Å; L71-Y129 HydrophobicContact CD2-CD1 4.2Å; L71-Y129 HydrophobicContact CD2-CE1 3.63Å; S72-Y129 PolarHBondContact N-OH 2.96Å; S72-Y129 PolarHBondContact O-OH 2.95Å; H73-Y129 HydrophobicContact CB-CD1 3.43Å; H73-Y129 VanDerWaalsContact CB-CD1 3.43Å; H73-Y129 HydrophobicContact CB-CD2 4.21Å; H73-Y129 HydrophobicContact CB-CE1 3.6Å; H73-Y129 HydrophobicContact CB-CE2 4.37Å; H73-Y129 HydrophobicContact CB-CG 3.76Å; H73-Y129 AromaticContact CD2-CG 3.78Å; H73-Y129 AromaticContact CG-CD1 3.87Å; H73-Y129 AromaticContact CG-CG 3.77Å; S125-Y129 PolarHBondContact O-N 3.16Å; S125-Y129 VanDerWaalsContact O-N 3.14Å; A126-Y129 WeakPolarHBondContact O-CB 3.4Å; A126-Y129 PolarHBondContact O-N 2.88Å; M127-Y129 VanDerWaalsContact C-N 3.32Å; M127-Y129 PolarHBondContact O-N 3.38Å; Y129-H131 VanDerWaalsContact C-N 3.32Å; Y129-H131 PolarHBondContact O-N 2.93Å; Y129-S132 WeakPolarHBondContact O-CB 3.45Å; Y129-S132 PolarHBondContact O-N 3.06Å; Y129-S132 PolarHBondContact O-OG 2.76Å; Y129-Q133 HydrophobicContact CD1-CG 4.44Å; Y129-Q133 HydrophobicContact CD2-CG 4.46Å; Y129-Q133 HydrophobicContact CE1-CG 3.93Å; Y129-Q133 HydrophobicContact CE2-CG 3.94Å; Y129-Q133 WeakPolarHBondContact O-CG 3.43Å; Y129-Q133 PolarHBondContact O-N 3.39Å
130V95.7Very high95.1Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-57.5-44.7-178.8169.20000111.1L71 V76 A126 M127 Q133 Y135 L155 F158L71-V130 HydrophobicContact CD1-CG2 4.38Å; L71-V130 HydrophobicContact CD2-CG2 4.23Å; V76-V130 HydrophobicContact CG2-CG2 4.26Å; A126-V130 VanDerWaalsContact O-CG2 3.27Å; A126-V130 WeakPolarHBondContact O-CG2 3.49Å; A126-V130 PolarHBondContact O-N 3.21Å; M127-V130 PolarHBondContact O-N 3.13Å; V130-Q133 PolarHBondContact O-N 2.94Å; V130-Y135 CarbonylContact C-O 3.56Å; V130-Y135 PolarHBondContact O-N 3.32Å; V130-Y135 VanDerWaalsContact O-N 3.11Å; V130-L155 HydrophobicContact CG2-CD2 4.39Å; V130-F158 HydrophobicContact CG1-CE1 4.39Å; V130-F158 HydrophobicContact CG2-CE1 4.06Å; V130-F158 HydrophobicContact CG2-CZ 4.38Å
131H95.2Very high94.5Very high23 Ų2314.4 Ų14.411%0.1068%0.078CC..Hα-helixtrans-62.6-41.1174.4-71.5-171.8000112M127 Y129 Q133 G134 Y135 L168 S195 D198 V261M127-H131 WeakPolarHBondContact CE-NE2 3.4Å; M127-H131 VanDerWaalsContact O-CB 3.29Å; M127-H131 WeakPolarHBondContact O-CB 3.42Å; M127-H131 PolarHBondContact O-CD2 3.39Å; M127-H131 VanDerWaalsContact O-CG 3.23Å; M127-H131 PolarHBondContact O-N 3.02Å; Y129-H131 VanDerWaalsContact C-N 3.32Å; Y129-H131 PolarHBondContact O-N 2.93Å; H131-Q133 VanDerWaalsContact C-N 3.26Å; H131-Q133 PolarHBondContact O-N 3.41Å; H131-G134 PolarHBondContact O-N 3.42Å; H131-Y135 WeakPolarHBondContact CA-O 3.22Å; H131-Y135 PolarHBondContact CD2-O 2.98Å; H131-Y135 VanDerWaalsContact CD2-O 3.29Å; H131-L168 HydrophobicContact CB-CD2 3.6Å; H131-S195 VanDerWaalsContact CE1-CA 3.49Å; H131-S195 WeakPolarHBondContact CE1-CA 3.4Å; H131-S195 WeakPolarHBondContact CE1-CB 3.42Å; H131-D198 IonicContact CD2-OD2 3.58Å; H131-D198 IonicContact CE1-OD2 2.82Å; H131-D198 IonicContact NE2-OD2 3.61Å; H131-D198 PolarHBondContact NE2-OD2 3.41Å; H131-V261 WeakPolarHBondContact ND1-CG2 3.49Å
132S93.9Very high93.8Very high59 Ų5913.2 Ų13.241%0.4137%0.073SC..Hα-helixtrans-63.1-29.2175.883.40000113.7A128 Y129 G134A128-S132 WeakPolarHBondContact O-CB 3.21Å; A128-S132 PolarHBondContact O-N 3.47Å; Y129-S132 WeakPolarHBondContact O-CB 3.45Å; Y129-S132 PolarHBondContact O-N 3.06Å; Y129-S132 PolarHBondContact O-OG 2.76Å; S132-G134 PolarHBondContact O-N 3.25Å
133Q92.9Very high93Very high71 Ų7113.5 Ų13.533%0.3327%0.074SC..THydrogen-bonded Turntrans-81.83.9175.5-60.1-49.1-56.300112.9L71 Y129 V130 H131 Y135 K163L71-Q133 HydrophobicContact CD2-CB 3.88Å; L71-Q133 HydrophobicContact CD2-CG 3.93Å; Y129-Q133 HydrophobicContact CD1-CG 4.44Å; Y129-Q133 HydrophobicContact CD2-CG 4.46Å; Y129-Q133 HydrophobicContact CE1-CG 3.93Å; Y129-Q133 HydrophobicContact CE2-CG 3.94Å; Y129-Q133 WeakPolarHBondContact O-CG 3.43Å; Y129-Q133 PolarHBondContact O-N 3.39Å; V130-Q133 PolarHBondContact O-N 2.94Å; H131-Q133 VanDerWaalsContact C-N 3.26Å; H131-Q133 PolarHBondContact O-N 3.41Å; Q133-Y135 HydrophobicContact CB-CD2 3.83Å; Q133-Y135 HydrophobicContact CB-CE2 4.21Å; Q133-Y135 WeakPolarHBondContact O-CD2 3.4Å; Q133-K163 WeakPolarHBondContact O-CE 3.3Å; Q133-K163 PolarHBondContact O-NZ 3.2Å
134G92.7Very high92.6Very high16 Ų1613.6 Ų13.617%0.1658%0.075CC..THydrogen-bonded Turntrans80.816.2179.200000114.4H131 S132 K163 L168H131-G134 PolarHBondContact O-N 3.42Å; S132-G134 PolarHBondContact O-N 3.25Å; G134-K163 WeakPolarHBondContact O-CA 3.32Å; G134-K163 WeakPolarHBondContact O-CG 3.43Å; G134-L168 VanDerWaalsContact C-CD1 3.47Å
135Y93.9Very high92.3Very high16 Ų1613.7 Ų13.76%0.0638%0.076CC..  trans-105.3145.2178.1-66.3-94000111.4A67 N70 L71 V130 H131 Q133 A162 K163 L168A67-Y135 HydrophobicContact CB-CD1 4.09Å; A67-Y135 HydrophobicContact CB-CE1 3.62Å; N70-Y135 HydrophobicContact CB-CE2 4.33Å; L71-Y135 HydrophobicContact CD2-CD2 4.08Å; L71-Y135 HydrophobicContact CD2-CE2 4.42Å; V130-Y135 CarbonylContact C-O 3.56Å; V130-Y135 PolarHBondContact O-N 3.32Å; V130-Y135 VanDerWaalsContact O-N 3.11Å; H131-Y135 WeakPolarHBondContact CA-O 3.22Å; H131-Y135 PolarHBondContact CD2-O 2.98Å; H131-Y135 VanDerWaalsContact CD2-O 3.29Å; Q133-Y135 HydrophobicContact CB-CD2 3.83Å; Q133-Y135 HydrophobicContact CB-CE2 4.21Å; Q133-Y135 WeakPolarHBondContact O-CD2 3.4Å; Y135-A162 CarbonylContact C-O 3.57Å; Y135-A162 VanDerWaalsContact CA-O 3.3Å; Y135-A162 WeakPolarHBondContact CA-O 3.24Å; Y135-K163 HydrophobicContact CD1-CB 3.87Å; Y135-K163 HydrophobicContact CD1-CD 4.24Å; Y135-K163 HydrophobicContact CD2-CD 4.06Å; Y135-K163 HydrophobicContact CE1-CB 3.85Å; Y135-K163 HydrophobicContact CE1-CD 3.82Å; Y135-K163 HydrophobicContact CE1-CG 4.5Å; Y135-K163 HydrophobicContact CE2-CD 3.63Å; Y135-K163 HydrophobicContact CG-CB 4.43Å; Y135-K163 HydrophobicContact CG-CD 4.34Å; Y135-K163 VanDerWaalsContact CZ-CD 3.48Å; Y135-L168 WeakPolarHBondContact O-CD1 3.39Å
136A93.6Very high91.9Very high1 Ų114.6 Ų14.61%0.0088%0.08CC..BIsolated β-bridgetrans-113.1148.1160.900000109.3R138 C161 A162 D198A136-R138 HydrophobicContact CB-CG 4.16Å; A136-C161 CarbonylContact O-C 3.56Å; A136-C161 WeakPolarHBondContact O-CA 3.4Å; A136-C161 WeakPolarHBondContact O-CB 3.31Å; A136-A162 PolarHBondContact N-O 2.94Å; A136-A162 PolarHBondContact O-N 3.27Å; A136-D198 WeakPolarHBondContact CA-OD2 3.44Å
137H93.1Very high91.6Very high0 Ų015 Ų150%08%0.082CC..  trans-88-47.9-172-165.2-59.2000113.2M127 D139 I156 D157 F158 L160 D198M127-H137 HydrophobicContact CE-CB 3.94Å; M127-H137 HydrophobicContact SD-CB 4.35Å; H137-D139 PolarHBondContact O-N 2.78Å; H137-I156 PolarHBondContact NE2-O 3Å; H137-D157 PolarHBondContact CE1-O 3.12Å; H137-F158 AromaticContact CD2-CE1 3.84Å; H137-L160 CarbonylContact O-C 3.26Å; H137-D198 PolarHBondContact N-OD1 2.8Å; H137-D198 PolarHBondContact N-OD2 2.83Å
138R91.2Very high91.2Very high22 Ų2215.8 Ų15.88%0.0839%0.086CC..SBendtrans63.317.3173.8-43-175.6-60.6162.2-0.4116.6A136 L160 C161 C176 G177 Y192 D198A136-R138 HydrophobicContact CB-CG 4.16Å; R138-L160 VanDerWaalsContact CZ-O 3.22Å; R138-L160 PolarHBondContact NE-O 3.14Å; R138-L160 PolarHBondContact NH2-O 3.45Å; R138-C161 PolarHBondContact NH2-O 3.32Å; R138-C176 VanDerWaalsContact CZ-SG 3.53Å; R138-G177 VanDerWaalsContact O-CA 3.31Å; R138-G177 WeakPolarHBondContact O-CA 3.35Å; R138-Y192 WeakPolarHBondContact CD-OH 3.22Å; R138-Y192 PolarHBondContact NH1-OH 2.95Å; R138-D198 PolarHBondContact N-OD1 2.91Å
139D88.3Confident90.6Very high5 Ų518.8 Ų18.83%0.02711%0.111CC..  trans-15848.2169.5-16845000109.4H137 K141 N144 L160 G177 S178H137-D139 PolarHBondContact O-N 2.78Å; D139-K141 PolarHBondContact O-N 2.83Å; D139-N144 PolarHBondContact O-ND2 2.81Å; D139-N144 PolarHBondContact OD2-ND2 3.07Å; D139-L160 HydrophobicContact CB-CB 4.25Å; D139-L160 HydrophobicContact CB-CD1 3.81Å; D139-G177 WeakPolarHBondContact OD1-CA 3.45Å; D139-S178 WeakPolarHBondContact OD1-CB 3.32Å; D139-S178 PolarHBondContact OD1-N 3.42Å; D139-S178 PolarHBondContact OD1-OG 2.68Å
140L90.7Very high90.2Very high0 Ų023.8 Ų23.80%014%0.138CC..  trans-77.6114.8177.9-177.671.9000109.6I123 M127 L145 L155 M202 L205I123-L140 HydrophobicContact CG2-CD2 4.04Å; M127-L140 HydrophobicContact CG-CD2 4.26Å; M127-L140 HydrophobicContact SD-CD1 4.35Å; M127-L140 HydrophobicContact SD-CD2 4.43Å; L140-L145 HydrophobicContact CD1-CD1 4.32Å; L140-L145 HydrophobicContact CD1-CG 4.5Å; L140-L155 HydrophobicContact CD1-CD1 3.5Å; L140-M202 HydrophobicContact CD2-CB 4.14Å; L140-M202 HydrophobicContact CD2-CG 3.22Å; L140-L205 HydrophobicContact CD2-CD2 4.02Å; L140-L205 HydrophobicContact CG-CD2 4.08Å
141K85.8Confident89.9Confident9 Ų931.9 Ų31.94%0.03917%0.169CC..  trans-152.5160-179.164.5-172.8-168.2148.80111.3D139 E143 N144 S178 Y181D139-K141 PolarHBondContact O-N 2.83Å; K141-E143 VanDerWaalsContact C-N 3.26Å; K141-E143 WeakPolarHBondContact CB-OE2 3.36Å; K141-E143 VanDerWaalsContact CD-OE1 3.23Å; K141-E143 WeakPolarHBondContact CD-OE1 3.27Å; K141-E143 WeakPolarHBondContact CE-OE1 3.5Å; K141-E143 WeakPolarHBondContact CG-OE2 3.1Å; K141-E143 IonicContact NZ-OE1 2.74Å; K141-E143 PolarHBondContact NZ-OE1 3.46Å; K141-E143 PolarHBondContact O-N 2.92Å; K141-N144 HydrophobicContact CG-CB 4.13Å; K141-N144 PolarHBondContact O-N 2.92Å; K141-S178 WeakPolarHBondContact CD-OG 3.46Å; K141-S178 VanDerWaalsContact CE-OG 3.3Å; K141-S178 WeakPolarHBondContact CE-OG 3.24Å; K141-S178 PolarHBondContact NZ-OG 2.87Å; K141-Y181 HydrophobicContact CB-CD1 4.19Å; K141-Y181 HydrophobicContact CB-CD2 3.76Å; K141-Y181 HydrophobicContact CB-CE1 4.17Å; K141-Y181 HydrophobicContact CB-CE2 3.7Å; K141-Y181 HydrophobicContact CB-CG 4.01Å; K141-Y181 HydrophobicContact CD-CD2 4.43Å; K141-Y181 HydrophobicContact CD-CE2 4.45Å
142P82Confident89.8Confident0 Ų033.5 Ų33.50%018%0.179CC..G310 helixtrans-53-33.6-179.4-29.136000116F102 I105 N144 L145 Y181 L205F102-P142 HydrophobicContact CB-CB 3.73Å; F102-P142 HydrophobicContact CD2-CB 3.55Å; F102-P142 HydrophobicContact CD2-CG 3.85Å; F102-P142 HydrophobicContact CG-CB 4.13Å; I105-P142 HydrophobicContact CD1-CB 4.44Å; I105-P142 HydrophobicContact CD1-CG 4.41Å; P142-N144 VanDerWaalsContact C-N 3.27Å; P142-N144 PolarHBondContact O-N 2.66Å; P142-L145 PolarHBondContact O-N 2.72Å; P142-Y181 VanDerWaalsContact CD-CZ 3.49Å; P142-Y181 WeakPolarHBondContact CD-OH 3.33Å; P142-Y181 HydrophobicContact CG-CE1 4.44Å; P142-L205 HydrophobicContact CB-CD1 4.42Å; P142-L205 HydrophobicContact CG-CD1 3.62Å
143E81.5Confident89.8Confident25 Ų2530.8 Ų30.812%0.11716%0.16CC..G310 helixtrans-69.4-29.2178.9-45.293.693.400111.3K141 L145K141-E143 VanDerWaalsContact C-N 3.26Å; K141-E143 WeakPolarHBondContact CB-OE2 3.36Å; K141-E143 VanDerWaalsContact CD-OE1 3.23Å; K141-E143 WeakPolarHBondContact CD-OE1 3.27Å; K141-E143 WeakPolarHBondContact CE-OE1 3.5Å; K141-E143 WeakPolarHBondContact CG-OE2 3.1Å; K141-E143 IonicContact NZ-OE1 2.74Å; K141-E143 PolarHBondContact NZ-OE1 3.46Å; K141-E143 PolarHBondContact O-N 2.92Å; E143-L145 PolarHBondContact O-N 2.94Å
144N89.4Confident89.9Confident5 Ų528.2 Ų28.23%0.02715%0.147CC..G310 helixtrans-85.614.4175.9-66.8-13.6000112.5D139 K141 P142 I156D139-N144 PolarHBondContact O-ND2 2.81Å; D139-N144 PolarHBondContact OD2-ND2 3.07Å; K141-N144 HydrophobicContact CG-CB 4.13Å; K141-N144 PolarHBondContact O-N 2.92Å; P142-N144 VanDerWaalsContact C-N 3.27Å; P142-N144 PolarHBondContact O-N 2.66Å; N144-I156 VanDerWaalsContact C-CG1 3.44Å; N144-I156 HydrophobicContact CB-CG1 4.28Å; N144-I156 VanDerWaalsContact O-CG1 3.26Å; N144-I156 WeakPolarHBondContact O-CG1 3.34Å; N144-I156 PolarHBondContact O-N 3.5Å
145L91.4Very high90Very high3 Ų327.5 Ų27.52%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-127.7106.8178.5-75.5165.2000109.6L101 I123 L140 P142 E143 L153 L155 L205L101-L145 HydrophobicContact CB-CB 3.98Å; L101-L145 VanDerWaalsContact CB-O 3.3Å; L101-L145 WeakPolarHBondContact CB-O 3.45Å; L101-L145 HydrophobicContact CD2-CB 4.03Å; L101-L145 HydrophobicContact CD2-CD1 3.87Å; L101-L145 PolarHBondContact N-O 3.45Å; I123-L145 HydrophobicContact CD1-CD1 4.03Å; I123-L145 HydrophobicContact CG1-CD1 4.03Å; I123-L145 HydrophobicContact CG1-CD2 4.2Å; L140-L145 HydrophobicContact CD1-CD1 4.32Å; L140-L145 HydrophobicContact CD1-CG 4.5Å; P142-L145 PolarHBondContact O-N 2.72Å; E143-L145 PolarHBondContact O-N 2.94Å; L145-L153 HydrophobicContact CB-CD2 4.35Å; L145-L155 HydrophobicContact CD2-CB 4.3Å; L145-L155 HydrophobicContact CD2-CD1 3.85Å; L145-L155 HydrophobicContact CG-CD1 4.37Å; L145-L205 HydrophobicContact CD1-CD1 4.23Å; L145-L205 HydrophobicContact CD1-CD2 3.56Å
146L90.6Very high89.9Confident22 Ų2228.4 Ų28.412%0.11515%0.145CC..EExtended strand (participates in β ladder)trans-95.7156177.5-55.7-173.4000111.9C96 G99 E100 L153 K154 I156C96-L146 HydrophobicContact CB-CB 3.6Å; C96-L146 HydrophobicContact CB-CD1 3.89Å; C96-L146 HydrophobicContact CB-CG 4.42Å; G99-L146 CarbonylContact O-C 3.6Å; G99-L146 VanDerWaalsContact O-CA 3.32Å; G99-L146 WeakPolarHBondContact O-CA 3.43Å; E100-L146 HydrophobicContact CB-CD2 4.43Å; E100-L146 HydrophobicContact CG-CD2 3.87Å; L146-L153 CarbonylContact O-C 3.43Å; L146-L153 WeakPolarHBondContact O-CA 3.44Å; L146-K154 PolarHBondContact N-O 3.28Å; L146-K154 PolarHBondContact O-N 3.45Å; L146-I156 HydrophobicContact CD1-CD1 4.13Å; L146-I156 HydrophobicContact CD1-CG2 3.94Å; L146-I156 HydrophobicContact CD2-CD1 4.09Å; L146-I156 HydrophobicContact CG-CD1 3.92Å; L146-I156 HydrophobicContact CG-CG1 4.25Å; L146-I156 HydrophobicContact CG-CG2 4.03Å
147I89.9Confident89.3Confident9 Ų929.7 Ų29.75%0.04615%0.152CC..EExtended strand (participates in β ladder)trans-105.1129.8176.6-59.6174000109.9C96 G98 G99 L101 Y104 R151 N152 L153C96-I147 CarbonylContact C-O 3.59Å; C96-I147 WeakPolarHBondContact CB-O 3.48Å; G98-I147 VanDerWaalsContact CA-O 3.25Å; G98-I147 WeakPolarHBondContact CA-O 3.48Å; G98-I147 PolarHBondContact N-O 3.49Å; G99-I147 PolarHBondContact O-N 3.32Å; L101-I147 HydrophobicContact CD1-CD1 4.25Å; Y104-I147 HydrophobicContact CD2-CD1 4.26Å; Y104-I147 HydrophobicContact CG-CD1 4.01Å; I147-R151 HydrophobicContact CG2-CB 4.43Å; I147-N152 WeakPolarHBondContact CA-O 3.26Å; I147-L153 HydrophobicContact CG1-CD2 3.84Å
148D89.3Confident88.9Confident18 Ų1829.7 Ų29.710%0.09615%0.152CC..  trans-84.1-178.4176.476.716.2000113.8D150 R151 N152 K154D148-D150 PolarHBondContact O-N 2.62Å; D148-D150 WeakPolarHBondContact OD1-CA 3.44Å; D148-D150 PolarHBondContact OD1-N 3.23Å; D148-R151 PolarHBondContact O-N 2.93Å; D148-R151 PolarHBondContact OD1-N 3.26Å; D148-R151 VanDerWaalsContact OD1-N 3.13Å; D148-N152 PolarHBondContact N-O 3.23Å; D148-N152 PolarHBondContact OD1-N 3.31Å; D148-N152 PolarHBondContact OD1-ND2 2.94Å; D148-N152 WeakPolarHBondContact OD2-CB 3.35Å; D148-N152 PolarHBondContact OD2-ND2 2.83Å; D148-K154 HydrophobicContact CB-CG 4.3Å; D148-K154 WeakPolarHBondContact OD2-CE 3.2Å; D148-K154 IonicContact OD2-NZ 3.64Å; D148-K154 PolarHBondContact OD2-NZ 3.18Å
149A85.9Confident88.3Confident73 Ų7329 Ų2960%0.60315%0.151SC*.THydrogen-bonded Turntrans-62.8-27.8-177.400000113.4P97P97-A149 HydrophobicContact CG-CB 3.82Å
150D87.1Confident87.9Confident122 Ų12229.7 Ų29.765%0.65216%0.155SC*.THydrogen-bonded Turntrans-100.710.3-174.9-56.1-60.6000111.6D148 N152D148-D150 PolarHBondContact O-N 2.62Å; D148-D150 WeakPolarHBondContact OD1-CA 3.44Å; D148-D150 PolarHBondContact OD1-N 3.23Å; D150-N152 WeakPolarHBondContact CB-ND2 3.39Å
151R88.9Confident87.6Confident170 Ų17030 Ų3064%0.64216%0.157SC*.SBendtrans68.523-178.7-46.1-172.3-167.8-155.65.7115.8I147 D148I147-R151 HydrophobicContact CG2-CB 4.43Å; D148-R151 PolarHBondContact O-N 2.93Å; D148-R151 PolarHBondContact OD1-N 3.26Å; D148-R151 VanDerWaalsContact OD1-N 3.13Å
152N93.2Very high87.5Confident58 Ų5830.2 Ų30.231%0.3116%0.16SC..  trans-85.4152.9170.4-47.7-87.8000110.8I147 D148 D150I147-N152 WeakPolarHBondContact CA-O 3.26Å; D148-N152 PolarHBondContact N-O 3.23Å; D148-N152 PolarHBondContact OD1-N 3.31Å; D148-N152 PolarHBondContact OD1-ND2 2.94Å; D148-N152 WeakPolarHBondContact OD2-CB 3.35Å; D148-N152 PolarHBondContact OD2-ND2 2.83Å; D150-N152 WeakPolarHBondContact CB-ND2 3.39Å
153L94.7Very high87.8Confident2 Ų235.6 Ų35.61%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-82.6147.4174.5-73.5175.3000112.7H75 L101 F119 Q122 I123 L145 L146 I147H75-L153 VanDerWaalsContact CA-O 3.25Å; H75-L153 WeakPolarHBondContact CA-O 3.38Å; H75-L153 WeakPolarHBondContact CB-O 3.38Å; H75-L153 PolarHBondContact ND1-O 3.34Å; H75-L153 VanDerWaalsContact ND1-O 3.12Å; L101-L153 HydrophobicContact CB-CD2 4.07Å; L101-L153 HydrophobicContact CD1-CD2 4.22Å; L101-L153 HydrophobicContact CD2-CD1 4.01Å; L101-L153 HydrophobicContact CD2-CD2 3.98Å; L101-L153 HydrophobicContact CG-CD2 4.31Å; F119-L153 HydrophobicContact CB-CD1 3.84Å; F119-L153 HydrophobicContact CD1-CD1 3.74Å; F119-L153 HydrophobicContact CD1-CD2 4.24Å; F119-L153 HydrophobicContact CD1-CG 3.73Å; F119-L153 HydrophobicContact CE1-CG 4.34Å; F119-L153 HydrophobicContact CG-CD1 4.17Å; Q122-L153 HydrophobicContact CB-CB 4.33Å; I123-L153 HydrophobicContact CD1-CD1 3.9Å; I123-L153 HydrophobicContact CG1-CD1 3.76Å; L145-L153 HydrophobicContact CB-CD2 4.35Å; L146-L153 CarbonylContact O-C 3.43Å; L146-L153 WeakPolarHBondContact O-CA 3.44Å; I147-L153 HydrophobicContact CG1-CD2 3.84Å
154K94.8Very high87.8Confident17 Ų1735.2 Ų35.27%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-131.9109.6175.5-55.4-67.2175161.40109.1Q74 C77 E94 L146 D148Q74-K154 PolarHBondContact O-NZ 2.95Å; C77-K154 HydrophobicContact CB-CB 4.29Å; E94-K154 VanDerWaalsContact OE1-CE 3.29Å; E94-K154 WeakPolarHBondContact OE1-CE 3.49Å; E94-K154 IonicContact OE1-NZ 3.43Å; E94-K154 PolarHBondContact OE1-NZ 3.44Å; E94-K154 IonicContact OE2-NZ 2.8Å; L146-K154 PolarHBondContact N-O 3.28Å; L146-K154 PolarHBondContact O-N 3.45Å; D148-K154 HydrophobicContact CB-CG 4.3Å; D148-K154 WeakPolarHBondContact OD2-CE 3.2Å; D148-K154 IonicContact OD2-NZ 3.64Å; D148-K154 PolarHBondContact OD2-NZ 3.18Å
155L95Very high87.2Confident1 Ų145.7 Ų45.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-68.6130.7173.2-173.659.3000110.3H75 V76 C77 A126 M127 V130 L140 L145 F158H75-L155 WeakPolarHBondContact O-CB 3.37Å; H75-L155 PolarHBondContact O-N 3.47Å; V76-L155 HydrophobicContact CG2-CB 4.44Å; C77-L155 WeakPolarHBondContact CB-O 3.45Å; C77-L155 PolarHBondContact N-O 2.69Å; A126-L155 HydrophobicContact CB-CD2 4.11Å; M127-L155 HydrophobicContact SD-CD2 3.8Å; V130-L155 HydrophobicContact CG2-CD2 4.39Å; L140-L155 HydrophobicContact CD1-CD1 3.5Å; L145-L155 HydrophobicContact CD2-CB 4.3Å; L145-L155 HydrophobicContact CD2-CD1 3.85Å; L145-L155 HydrophobicContact CG-CD1 4.37Å; L155-F158 HydrophobicContact CD2-CZ 4.12Å; L155-F158 HydrophobicContact CG-CZ 4.08Å
156I90.8Very high86.4Confident34 Ų3447.6 Ų47.617%0.17425%0.249CC..  trans-126173.7-179.261.6156.6000111.9C77 H137 N144 L146C77-I156 HydrophobicContact CB-CG2 3.5Å; C77-I156 VanDerWaalsContact CB-CG2 3.5Å; H137-I156 PolarHBondContact NE2-O 3Å; N144-I156 VanDerWaalsContact C-CG1 3.44Å; N144-I156 HydrophobicContact CB-CG1 4.28Å; N144-I156 VanDerWaalsContact O-CG1 3.26Å; N144-I156 WeakPolarHBondContact O-CG1 3.34Å; N144-I156 PolarHBondContact O-N 3.5Å; L146-I156 HydrophobicContact CD1-CD1 4.13Å; L146-I156 HydrophobicContact CD1-CG2 3.94Å; L146-I156 HydrophobicContact CD2-CD1 4.09Å; L146-I156 HydrophobicContact CG-CD1 3.92Å; L146-I156 HydrophobicContact CG-CG1 4.25Å; L146-I156 HydrophobicContact CG-CG2 4.03Å
157D82.5Confident86.1Confident29 Ų2948 Ų4816%0.15526%0.258CS..  trans55.475.3178.3-152-34.8000115.8H137 G159H137-D157 PolarHBondContact CE1-O 3.12Å; D157-G159 PolarHBondContact O-N 3.49Å; D157-G159 VanDerWaalsContact OD1-CA 3.23Å; D157-G159 WeakPolarHBondContact OD1-CA 3.27Å; D157-G159 PolarHBondContact OD1-N 2.91Å
158F84.6Confident85.7Confident0 Ų049.3 Ų49.30%027%0.265CS..G310 helixtrans-77.814.2167.6-65.3-85.5000112.9E64 A67 M68 L71 V76 V130 H137 L155 L160 C161E64-F158 HydrophobicContact CG-CB 4.27Å; A67-F158 HydrophobicContact CB-CB 3.95Å; A67-F158 HydrophobicContact CB-CG 4.4Å; M68-F158 HydrophobicContact CG-CB 4.4Å; M68-F158 HydrophobicContact CG-CD2 3.72Å; M68-F158 HydrophobicContact CG-CG 4.35Å; M68-F158 HydrophobicContact SD-CD2 4.36Å; L71-F158 HydrophobicContact CD1-CD1 3.59Å; L71-F158 HydrophobicContact CD1-CD2 4.44Å; L71-F158 HydrophobicContact CD1-CE1 3.37Å; L71-F158 HydrophobicContact CD1-CE2 4.27Å; L71-F158 HydrophobicContact CD1-CG 4.14Å; L71-F158 HydrophobicContact CD1-CZ 3.75Å; V76-F158 HydrophobicContact CG1-CE2 3.63Å; V76-F158 HydrophobicContact CG1-CZ 3.64Å; V76-F158 HydrophobicContact CG2-CZ 4.46Å; V130-F158 HydrophobicContact CG1-CE1 4.39Å; V130-F158 HydrophobicContact CG2-CE1 4.06Å; V130-F158 HydrophobicContact CG2-CZ 4.38Å; H137-F158 AromaticContact CD2-CE1 3.84Å; L155-F158 HydrophobicContact CD2-CZ 4.12Å; L155-F158 HydrophobicContact CG-CZ 4.08Å; F158-L160 PolarHBondContact O-N 3.45Å; F158-C161 HydrophobicContact CB-CB 4.18Å; F158-C161 HydrophobicContact CD1-CB 4.19Å; F158-C161 WeakPolarHBondContact O-CB 3.36Å; F158-C161 PolarHBondContact O-N 2.92Å; F158-C161 PolarHBondContact O-SG 2.99Å
159G78.6Confident85.2Confident6 Ų651.4 Ų51.46%0.06229%0.291CS..G310 helixtrans-66.5-17.8-179.700000113.9R60 D157R60-G159 WeakPolarHBondContact CD-O 3.33Å; R60-G159 WeakPolarHBondContact CG-O 3.13Å; R60-G159 PolarHBondContact NE-O 3.33Å; D157-G159 PolarHBondContact O-N 3.49Å; D157-G159 VanDerWaalsContact OD1-CA 3.23Å; D157-G159 WeakPolarHBondContact OD1-CA 3.27Å; D157-G159 PolarHBondContact OD1-N 2.91Å
160L78.4Confident85.2Confident21 Ų2155 Ų5511%0.1129%0.29CS..G310 helixtrans-107.86.9170.3-69.2178.6000113.8H137 R138 D139 F158 C176H137-L160 CarbonylContact O-C 3.26Å; R138-L160 VanDerWaalsContact CZ-O 3.22Å; R138-L160 PolarHBondContact NE-O 3.14Å; R138-L160 PolarHBondContact NH2-O 3.45Å; D139-L160 HydrophobicContact CB-CB 4.25Å; D139-L160 HydrophobicContact CB-CD1 3.81Å; F158-L160 PolarHBondContact O-N 3.45Å; L160-C176 HydrophobicContact CD1-CB 4.23Å; L160-C176 HydrophobicContact CD2-CB 3.94Å
161C85.6Confident85.2Confident7 Ų755.7 Ų55.75%0.04729%0.289CS..  trans-63.7158.5-179.181.50000112.7A67 A136 R138 F158A67-C161 VanDerWaalsContact CB-SG 3.58Å; A136-C161 CarbonylContact O-C 3.56Å; A136-C161 WeakPolarHBondContact O-CA 3.4Å; A136-C161 WeakPolarHBondContact O-CB 3.31Å; R138-C161 PolarHBondContact NH2-O 3.32Å; F158-C161 HydrophobicContact CB-CB 4.18Å; F158-C161 HydrophobicContact CD1-CB 4.19Å; F158-C161 WeakPolarHBondContact O-CB 3.36Å; F158-C161 PolarHBondContact O-N 2.92Å; F158-C161 PolarHBondContact O-SG 2.99Å
162A84.3Confident85.1Confident12 Ų1248.7 Ų48.710%0.09926%0.264CS..BIsolated β-bridgetrans-134138.9170.400000110.8Y135 A136 L172Y135-A162 CarbonylContact C-O 3.57Å; Y135-A162 VanDerWaalsContact CA-O 3.3Å; Y135-A162 WeakPolarHBondContact CA-O 3.24Å; A136-A162 PolarHBondContact N-O 2.94Å; A136-A162 PolarHBondContact O-N 3.27Å; A162-L172 HydrophobicContact CB-CD1 3.76Å; A162-L172 HydrophobicContact CB-CD2 4.2Å
163K87.2Confident84.6Confident113 Ų11351.8 Ų51.849%0.49128%0.278SS..  trans-114.692.7165.7-178.1147.7-178.3164.10108.4Q133 G134 Y135 K165Q133-K163 WeakPolarHBondContact O-CE 3.3Å; Q133-K163 PolarHBondContact O-NZ 3.2Å; G134-K163 WeakPolarHBondContact O-CA 3.32Å; G134-K163 WeakPolarHBondContact O-CG 3.43Å; Y135-K163 HydrophobicContact CD1-CB 3.87Å; Y135-K163 HydrophobicContact CD1-CD 4.24Å; Y135-K163 HydrophobicContact CD2-CD 4.06Å; Y135-K163 HydrophobicContact CE1-CB 3.85Å; Y135-K163 HydrophobicContact CE1-CD 3.82Å; Y135-K163 HydrophobicContact CE1-CG 4.5Å; Y135-K163 HydrophobicContact CE2-CD 3.63Å; Y135-K163 HydrophobicContact CG-CB 4.43Å; Y135-K163 HydrophobicContact CG-CD 4.34Å; Y135-K163 VanDerWaalsContact CZ-CD 3.48Å; K163-K165 PolarHBondContact O-N 2.96Å
164P81.5Confident84Confident17 Ų1755.6 Ų55.611%0.1130%0.302CS..  trans-63.4137.4-177.8-13.625.9000109.9G166 G167 L172P164-G166 PolarHBondContact O-N 2.92Å; P164-G166 VanDerWaalsContact O-N 3.15Å; P164-G167 WeakPolarHBondContact CB-O 3.18Å; P164-G167 PolarHBondContact O-N 2.75Å; P164-L172 HydrophobicContact CB-CD2 4.5Å; P164-L172 HydrophobicContact CG-CD2 4.23Å
165K76.6Confident83.3Confident225 Ų22557.6 Ų57.698%0.97832%0.318SS*.THydrogen-bonded Turntrans-61.8-26.6-172.3-71.7-172.9177.6-178.10114.2K163K163-K165 PolarHBondContact O-N 2.96Å
166G75.6Confident82.6Confident44 Ų4458 Ų5845%0.45432%0.32SS..THydrogen-bonded Turntrans-94.47.8174.900000114.8P164 Y170P164-G166 PolarHBondContact O-N 2.92Å; P164-G166 VanDerWaalsContact O-N 3.15Å; G166-Y170 VanDerWaalsContact CA-CD2 3.49Å; G166-Y170 VanDerWaalsContact CA-CE2 3.46Å; G166-Y170 VanDerWaalsContact O-CD2 3.27Å; G166-Y170 WeakPolarHBondContact O-CD2 3.3Å; G166-Y170 WeakPolarHBondContact O-CE2 3.37Å
167G83Confident82.1Confident29 Ų2956.8 Ų56.830%0.29932%0.316SS..  trans90.1179.8-174.700000113.7P164 G169 Y170P164-G167 WeakPolarHBondContact CB-O 3.18Å; P164-G167 PolarHBondContact O-N 2.75Å; G167-G169 VanDerWaalsContact C-N 3.26Å; G167-G169 PolarHBondContact O-N 3.06Å; G167-G169 VanDerWaalsContact O-N 3.11Å; G167-Y170 PolarHBondContact O-N 2.99Å; G167-Y170 VanDerWaalsContact O-N 3.14Å
168L82.5Confident82.1Confident38 Ų3856.3 Ų56.320%0.19932%0.315CS..THydrogen-bonded Turntrans-62.8-25.7-161.4-138.472000115.2H131 G134 Y135 Y170 I193H131-L168 HydrophobicContact CB-CD2 3.6Å; G134-L168 VanDerWaalsContact C-CD1 3.47Å; Y135-L168 WeakPolarHBondContact O-CD1 3.39Å; L168-Y170 VanDerWaalsContact C-N 3.26Å; L168-Y170 PolarHBondContact O-N 3.05Å; L168-I193 WeakPolarHBondContact O-CG2 3.36Å
169G79.4Confident82.1Confident61 Ų6157.6 Ų57.663%0.62932%0.323SS*.THydrogen-bonded Turntrans-81.310.9178.200000115.4G167 I193G167-G169 VanDerWaalsContact C-N 3.26Å; G167-G169 PolarHBondContact O-N 3.06Å; G167-G169 VanDerWaalsContact O-N 3.11Å; G169-I193 WeakPolarHBondContact O-CD1 3.49Å
170Y84.5Confident82.6Confident148 Ų14857.8 Ų57.858%0.5832%0.324SS*.SBendtrans-94135.2173.8-83.9-110000111.3G166 G167 L168G166-Y170 VanDerWaalsContact CA-CD2 3.49Å; G166-Y170 VanDerWaalsContact CA-CE2 3.46Å; G166-Y170 VanDerWaalsContact O-CD2 3.27Å; G166-Y170 WeakPolarHBondContact O-CD2 3.3Å; G166-Y170 WeakPolarHBondContact O-CE2 3.37Å; G167-Y170 PolarHBondContact O-N 2.99Å; G167-Y170 VanDerWaalsContact O-N 3.14Å; L168-Y170 VanDerWaalsContact C-N 3.26Å; L168-Y170 PolarHBondContact O-N 3.05Å
171E87.2Confident83.4Confident137 Ų13757.1 Ų57.164%0.6432%0.321SS*.EExtended strand (participates in β ladder)trans-68145.4-177.4-61179.2151.500113A191 Y192 I193E171-A191 HydrophobicContact CB-CB 3.98Å; E171-A191 HydrophobicContact CG-CB 4.25Å; E171-A191 WeakPolarHBondContact OE2-CB 3.37Å; E171-Y192 CarbonylContact C-O 3.6Å; E171-Y192 WeakPolarHBondContact CA-O 3.33Å; E171-I193 HydrophobicContact CG-CD1 3.87Å
172L86.3Confident83.8Confident23 Ų2357 Ų5712%0.1232%0.32CS..EExtended strand (participates in β ladder)trans-113.8142.6176.1-63.2173.6000109.7A162 P164 A191 Y192A162-L172 HydrophobicContact CB-CD1 3.76Å; A162-L172 HydrophobicContact CB-CD2 4.2Å; P164-L172 HydrophobicContact CB-CD2 4.5Å; P164-L172 HydrophobicContact CG-CD2 4.23Å; L172-A191 WeakPolarHBondContact O-CA 3.46Å; L172-Y192 HydrophobicContact CB-CD1 4.33Å; L172-Y192 HydrophobicContact CB-CD2 4.38Å; L172-Y192 HydrophobicContact CB-CE1 3.85Å; L172-Y192 HydrophobicContact CB-CE2 3.9Å; L172-Y192 HydrophobicContact CD1-CE2 3.96Å; L172-Y192 PolarHBondContact N-O 3.19Å; L172-Y192 WeakPolarHBondContact O-CD1 3.31Å; L172-Y192 WeakPolarHBondContact O-CE1 3.48Å; L172-Y192 PolarHBondContact O-N 3.14Å
173M83.3Confident84.3Confident123 Ų12356.5 Ų56.561%0.60632%0.316SS*.  trans-108.1-9.4177.6-65.4-57.8-53.100113.6C175 A191M173-C175 PolarHBondContact O-N 3.22Å; M173-A191 VanDerWaalsContact SD-CA 3.55Å; M173-A191 HydrophobicContact SD-CB 3.59Å; M173-A191 VanDerWaalsContact SD-CB 3.59Å
174T82.6Confident84.7Confident83 Ų8351.1 Ų51.151%0.50929%0.292SS..  trans-76.5112.5-177-46.20000110.2C176 Y192T174-C176 PolarHBondContact O-N 3.32Å; T174-Y192 WeakPolarHBondContact O-CE1 3.4Å; T174-Y192 PolarHBondContact O-OH 2.83Å
175C79Confident85.3Confident59 Ų5950.9 Ų50.940%0.39929%0.29SS..  trans-70.5121.4167.7-57.70000109M173M173-C175 PolarHBondContact O-N 3.22Å
176C81.4Confident86.1Confident9 Ų940.6 Ų40.66%0.06125%0.246CC..  trans-160.3170.6178.860.20000110.7R138 L160 T174R138-C176 VanDerWaalsContact CZ-SG 3.53Å; L160-C176 HydrophobicContact CD1-CB 4.23Å; L160-C176 HydrophobicContact CD2-CB 3.94Å; T174-C176 PolarHBondContact O-N 3.32Å
177G79.3Confident86.7Confident8 Ų840 Ų408%0.08223%0.232CC..SBendtrans98.5162.4-178.800000112.8R138 D139R138-G177 VanDerWaalsContact O-CA 3.31Å; R138-G177 WeakPolarHBondContact O-CA 3.35Å; D139-G177 WeakPolarHBondContact OD1-CA 3.45Å
178S82.4Confident87Confident20 Ų2043 Ų4314%0.1424%0.238CC..  trans-75137.8-176.9-55.60000111.3D139 K141 A180 Y181 A182D139-S178 WeakPolarHBondContact OD1-CB 3.32Å; D139-S178 PolarHBondContact OD1-N 3.42Å; D139-S178 PolarHBondContact OD1-OG 2.68Å; K141-S178 WeakPolarHBondContact CD-OG 3.46Å; K141-S178 VanDerWaalsContact CE-OG 3.3Å; K141-S178 WeakPolarHBondContact CE-OG 3.24Å; K141-S178 PolarHBondContact NZ-OG 2.87Å; S178-A180 PolarHBondContact O-N 3.37Å; S178-Y181 PolarHBondContact O-N 2.78Å; S178-Y181 VanDerWaalsContact O-N 3.11Å; S178-A182 PolarHBondContact O-N 2.63Å; S178-A182 VanDerWaalsContact O-N 3.15Å
179P86Confident87.3Confident26 Ų2642.9 Ų42.917%0.16925%0.246CC..G310 helixtrans-67.8-39.4-154.1-18.229.8000114.6Y181 A182 L224 Y225 I228 F551 E555P179-Y181 VanDerWaalsContact C-N 3.28Å; P179-Y181 PolarHBondContact O-N 3.38Å; P179-A182 WeakPolarHBondContact O-CA 3.48Å; P179-A182 PolarHBondContact O-N 3.21Å; P179-A182 VanDerWaalsContact O-N 3.12Å; P179-L224 HydrophobicContact CB-CD2 4.33Å; P179-Y225 HydrophobicContact CB-CE1 4.33Å; P179-I228 WeakPolarHBondContact O-CD1 3.42Å; P179-F551 HydrophobicContact CB-CE1 4.37Å; P179-F551 HydrophobicContact CG-CE1 4.11Å; P179-E555 WeakPolarHBondContact CG-OE1 3.4Å
180A89.3Confident87.8Confident11 Ų1145.5 Ų45.59%0.09124%0.24CC..G310 helixtrans-68.3-24.3178.800000113.9S178 L214S178-A180 PolarHBondContact O-N 3.37Å; A180-L214 HydrophobicContact CB-CD1 3.68Å; A180-L214 HydrophobicContact CB-CD2 4.25Å
181Y94.1Very high88.1Confident7 Ų740 Ų403%0.02723%0.226CC..G310 helixtrans-92.9-5.1174.8-54.4-86.3000112.2K141 P142 S178 P179 S201 V204 L214 W659K141-Y181 HydrophobicContact CB-CD1 4.19Å; K141-Y181 HydrophobicContact CB-CD2 3.76Å; K141-Y181 HydrophobicContact CB-CE1 4.17Å; K141-Y181 HydrophobicContact CB-CE2 3.7Å; K141-Y181 HydrophobicContact CB-CG 4.01Å; K141-Y181 HydrophobicContact CD-CD2 4.43Å; K141-Y181 HydrophobicContact CD-CE2 4.45Å; P142-Y181 VanDerWaalsContact CD-CZ 3.49Å; P142-Y181 WeakPolarHBondContact CD-OH 3.33Å; P142-Y181 HydrophobicContact CG-CE1 4.44Å; S178-Y181 PolarHBondContact O-N 2.78Å; S178-Y181 VanDerWaalsContact O-N 3.11Å; P179-Y181 VanDerWaalsContact C-N 3.28Å; P179-Y181 PolarHBondContact O-N 3.38Å; Y181-S201 PolarHBondContact O-OG 3.4Å; Y181-V204 HydrophobicContact CD1-CB 3.97Å; Y181-V204 HydrophobicContact CD1-CG1 3.42Å; Y181-V204 VanDerWaalsContact CD1-CG1 3.42Å; Y181-V204 HydrophobicContact CE1-CG1 3.73Å; Y181-V204 HydrophobicContact CG-CG1 4.22Å; Y181-L214 HydrophobicContact CE1-CD2 4.12Å; Y181-W659 PolarHBondContact OH-NE1 3.01Å
182A93.4Very high88.4Confident5 Ų533.8 Ų33.84%0.04120%0.196CC..  trans-47.9120.1170.800000115.2S178 P179 L186 W200S178-A182 PolarHBondContact O-N 2.63Å; S178-A182 VanDerWaalsContact O-N 3.15Å; P179-A182 WeakPolarHBondContact O-CA 3.48Å; P179-A182 PolarHBondContact O-N 3.21Å; P179-A182 VanDerWaalsContact O-N 3.12Å; A182-L186 HydrophobicContact CB-CB 4.31Å; A182-L186 HydrophobicContact CB-CD1 3.99Å; A182-W200 PolarHBondContact O-NE1 3.23Å
183A95.3Very high88.8Confident0 Ų033.9 Ų33.90%020%0.197CC..  trans-69.3151168.300000111.9E185 L186 I187 A197 W200A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 VanDerWaalsContact CB-OE1 3.27Å; A183-E185 WeakPolarHBondContact CB-OE1 3.43Å; A183-E185 PolarHBondContact O-N 3.45Å; A183-L186 HydrophobicContact CB-CD1 4.35Å; A183-L186 VanDerWaalsContact O-CB 3.31Å; A183-L186 WeakPolarHBondContact O-CB 3.5Å; A183-L186 PolarHBondContact O-N 3.14Å; A183-L186 VanDerWaalsContact O-N 3.08Å; A183-I187 PolarHBondContact O-N 2.81Å; A183-A197 HydrophobicContact CB-CB 4.06Å; A183-W200 VanDerWaalsContact CA-CD1 3.5Å; A183-W200 HydrophobicContact CB-CB 3.93Å; A183-W200 HydrophobicContact CB-CG 3.9Å
184P95.9Very high89.2Confident1 Ų128 Ų281%0.00617%0.168CC..Hα-helixtrans-59.2-37.7-174.9-27.736.5000114.4L186 I187 Q188 W200 I228 M229 V253P184-L186 VanDerWaalsContact C-N 3.34Å; P184-L186 PolarHBondContact O-N 2.94Å; P184-I187 PolarHBondContact O-N 3.23Å; P184-Q188 WeakPolarHBondContact O-CB 3.15Å; P184-Q188 VanDerWaalsContact O-CG 3.24Å; P184-Q188 WeakPolarHBondContact O-CG 3.14Å; P184-Q188 PolarHBondContact O-N 3.19Å; P184-W200 HydrophobicContact CG-CD2 4.46Å; P184-W200 HydrophobicContact CG-CE3 4.18Å; P184-W200 HydrophobicContact CG-CH2 3.56Å; P184-W200 HydrophobicContact CG-CZ2 3.86Å; P184-W200 HydrophobicContact CG-CZ3 3.74Å; P184-I228 HydrophobicContact CB-CG2 4.46Å; P184-I228 HydrophobicContact CG-CG2 4.04Å; P184-M229 HydrophobicContact CB-CE 3.88Å; P184-M229 HydrophobicContact CB-SD 4.47Å; P184-M229 WeakPolarHBondContact O-CE 3.39Å; P184-V253 HydrophobicContact CB-CG1 4.1Å; P184-V253 HydrophobicContact CG-CG1 4.16Å
185E94.6Very high89.8Confident12 Ų1225.3 Ų25.36%0.05615%0.152CC..Hα-helixtrans-66.9-32177.265.1-78.1-17600113.3A183 Q188 G189 K190 Y192 R258A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 VanDerWaalsContact CB-OE1 3.27Å; A183-E185 WeakPolarHBondContact CB-OE1 3.43Å; A183-E185 PolarHBondContact O-N 3.45Å; E185-Q188 PolarHBondContact O-N 3Å; E185-G189 PolarHBondContact O-N 3.31Å; E185-K190 HydrophobicContact CB-CB 4.3Å; E185-K190 PolarHBondContact O-N 3.36Å; E185-Y192 VanDerWaalsContact CG-CB 3.48Å; E185-Y192 HydrophobicContact CG-CG 4.48Å; E185-R258 IonicContact OE1-CZ 3.96Å; E185-R258 IonicContact OE1-NH1 2.88Å; E185-R258 PolarHBondContact OE1-NH1 2.85Å; E185-R258 IonicContact OE1-NH2 3.39Å; E185-R258 PolarHBondContact OE1-NH2 2.89Å; E185-R258 IonicContact OE2-CZ 2.68Å; E185-R258 IonicContact OE2-NH1 2.76Å; E185-R258 IonicContact OE2-NH2 2.92Å; E185-R258 PolarHBondContact OE2-NH2 3.28Å
186L91.9Very high90.6Very high9 Ų925.2 Ų25.25%0.04715%0.146CC..Hα-helixtrans-65.8-48.2174-99.6164.3000110.9A182 A183 P184 Q188 G189 Y192 A197A182-L186 HydrophobicContact CB-CB 4.31Å; A182-L186 HydrophobicContact CB-CD1 3.99Å; A183-L186 HydrophobicContact CB-CD1 4.35Å; A183-L186 VanDerWaalsContact O-CB 3.31Å; A183-L186 WeakPolarHBondContact O-CB 3.5Å; A183-L186 PolarHBondContact O-N 3.14Å; A183-L186 VanDerWaalsContact O-N 3.08Å; P184-L186 VanDerWaalsContact C-N 3.34Å; P184-L186 PolarHBondContact O-N 2.94Å; L186-Q188 VanDerWaalsContact C-N 3.25Å; L186-Q188 PolarHBondContact O-N 2.69Å; L186-G189 PolarHBondContact O-N 2.68Å; L186-Y192 HydrophobicContact CD1-CE2 4.33Å; L186-Y192 HydrophobicContact CD2-CD1 3.99Å; L186-Y192 HydrophobicContact CD2-CE1 3.4Å; L186-Y192 VanDerWaalsContact CD2-CE1 3.4Å; L186-Y192 HydrophobicContact CD2-CE2 4.22Å; L186-Y192 HydrophobicContact CG-CD1 4.04Å; L186-Y192 HydrophobicContact CG-CD2 4.32Å; L186-Y192 HydrophobicContact CG-CE1 3.93Å; L186-Y192 HydrophobicContact CG-CE2 4.22Å; L186-Y192 HydrophobicContact CG-CG 4.25Å; L186-A197 HydrophobicContact CD1-CB 3.95Å
187I90.2Very high91.3Very high32 Ų3224.8 Ų24.816%0.16414%0.143CC..Hα-helixtrans-66.4-27.8176.7-59.8-61.7000111.7A183 P184 G189 Y225 M229 F551A183-I187 PolarHBondContact O-N 2.81Å; P184-I187 PolarHBondContact O-N 3.23Å; I187-G189 VanDerWaalsContact C-N 3.28Å; I187-G189 PolarHBondContact O-N 3.06Å; I187-Y225 HydrophobicContact CD1-CD1 4.09Å; I187-Y225 HydrophobicContact CD1-CE1 3.94Å; I187-Y225 HydrophobicContact CG1-CD1 4.48Å; I187-Y225 HydrophobicContact CG2-CD1 3.74Å; I187-Y225 HydrophobicContact CG2-CD2 3.99Å; I187-Y225 HydrophobicContact CG2-CE1 4.38Å; I187-Y225 HydrophobicContact CG2-CG 3.54Å; I187-M229 HydrophobicContact CB-CE 3.69Å; I187-M229 HydrophobicContact CG1-CE 4.46Å; I187-M229 HydrophobicContact CG2-CE 3.66Å; I187-F551 HydrophobicContact CD1-CZ 4.06Å
188Q89.1Confident92.1Very high90 Ų9024.4 Ų24.442%0.42114%0.139SC..THydrogen-bonded Turntrans-78-5.1172.4-71.4173.48.200114.1P184 E185 L186 K190 M229P184-Q188 WeakPolarHBondContact O-CB 3.15Å; P184-Q188 VanDerWaalsContact O-CG 3.24Å; P184-Q188 WeakPolarHBondContact O-CG 3.14Å; P184-Q188 PolarHBondContact O-N 3.19Å; E185-Q188 PolarHBondContact O-N 3Å; L186-Q188 VanDerWaalsContact C-N 3.25Å; L186-Q188 PolarHBondContact O-N 2.69Å; Q188-K190 HydrophobicContact CB-CD 4.16Å; Q188-K190 HydrophobicContact CB-CG 4.03Å; Q188-K190 PolarHBondContact O-N 2.95Å; Q188-M229 HydrophobicContact CG-CE 4.39Å; Q188-M229 HydrophobicContact CG-SD 3.47Å; Q188-M229 WeakPolarHBondContact CG-SD 3.33Å; Q188-M229 PolarHBondContact NE2-SD 2.82Å
189G88.3Confident92.9Very high37 Ų3723.5 Ų23.538%0.38113%0.133SC..THydrogen-bonded Turntrans64.725-176.200000114.2E185 L186 I187E185-G189 PolarHBondContact O-N 3.31Å; L186-G189 PolarHBondContact O-N 2.68Å; I187-G189 VanDerWaalsContact C-N 3.28Å; I187-G189 PolarHBondContact O-N 3.06Å
190K90.3Very high93.5Very high115 Ų11522.3 Ų22.350%0.513%0.125SC..  trans-82.9164179.5-74178.6175.6169.40111.7E185 Q188E185-K190 HydrophobicContact CB-CB 4.3Å; E185-K190 PolarHBondContact O-N 3.36Å; Q188-K190 HydrophobicContact CB-CD 4.16Å; Q188-K190 HydrophobicContact CB-CG 4.03Å; Q188-K190 PolarHBondContact O-N 2.95Å
191A91.2Very high93.9Very high34 Ų3422 Ų2228%0.28112%0.122SC..  trans-60132.3160.600000109.7E171 L172 M173E171-A191 HydrophobicContact CB-CB 3.98Å; E171-A191 HydrophobicContact CG-CB 4.25Å; E171-A191 WeakPolarHBondContact OE2-CB 3.37Å; L172-A191 WeakPolarHBondContact O-CA 3.46Å; M173-A191 VanDerWaalsContact SD-CA 3.55Å; M173-A191 HydrophobicContact SD-CB 3.59Å; M173-A191 VanDerWaalsContact SD-CB 3.59Å
192Y92.4Very high94Very high5 Ų521.7 Ų21.72%0.0212%0.121CC..EExtended strand (participates in β ladder)trans-142151.6-177.668.7-87.1000113.2R138 E171 L172 T174 E185 L186 A197R138-Y192 WeakPolarHBondContact CD-OH 3.22Å; R138-Y192 PolarHBondContact NH1-OH 2.95Å; E171-Y192 CarbonylContact C-O 3.6Å; E171-Y192 WeakPolarHBondContact CA-O 3.33Å; L172-Y192 HydrophobicContact CB-CD1 4.33Å; L172-Y192 HydrophobicContact CB-CD2 4.38Å; L172-Y192 HydrophobicContact CB-CE1 3.85Å; L172-Y192 HydrophobicContact CB-CE2 3.9Å; L172-Y192 HydrophobicContact CD1-CE2 3.96Å; L172-Y192 PolarHBondContact N-O 3.19Å; L172-Y192 WeakPolarHBondContact O-CD1 3.31Å; L172-Y192 WeakPolarHBondContact O-CE1 3.48Å; L172-Y192 PolarHBondContact O-N 3.14Å; T174-Y192 WeakPolarHBondContact O-CE1 3.4Å; T174-Y192 PolarHBondContact O-OH 2.83Å; E185-Y192 VanDerWaalsContact CG-CB 3.48Å; E185-Y192 HydrophobicContact CG-CG 4.48Å; L186-Y192 HydrophobicContact CD1-CE2 4.33Å; L186-Y192 HydrophobicContact CD2-CD1 3.99Å; L186-Y192 HydrophobicContact CD2-CE1 3.4Å; L186-Y192 VanDerWaalsContact CD2-CE1 3.4Å; L186-Y192 HydrophobicContact CD2-CE2 4.22Å; L186-Y192 HydrophobicContact CG-CD1 4.04Å; L186-Y192 HydrophobicContact CG-CD2 4.32Å; L186-Y192 HydrophobicContact CG-CE1 3.93Å; L186-Y192 HydrophobicContact CG-CE2 4.22Å; L186-Y192 HydrophobicContact CG-CG 4.25Å; Y192-A197 HydrophobicContact CD2-CB 3.97Å; Y192-A197 HydrophobicContact CE2-CB 4.35Å
193I93.8Very high94.3Very high25 Ų2521.4 Ų21.413%0.12812%0.119CC..EExtended strand (participates in β ladder)trans-86.4123.7172.2-56.8-56.4000109L168 G169 E171 S195 E196 A197L168-I193 WeakPolarHBondContact O-CG2 3.36Å; G169-I193 WeakPolarHBondContact O-CD1 3.49Å; E171-I193 HydrophobicContact CG-CD1 3.87Å; I193-S195 VanDerWaalsContact C-N 3.29Å; I193-S195 WeakPolarHBondContact CG2-OG 3.42Å; I193-S195 PolarHBondContact O-N 2.89Å; I193-E196 HydrophobicContact CB-CB 4.16Å; I193-E196 HydrophobicContact CB-CG 3.85Å; I193-E196 WeakPolarHBondContact CB-OE2 3.49Å; I193-E196 WeakPolarHBondContact CG1-OE2 3.29Å; I193-E196 HydrophobicContact CG2-CG 3.93Å; I193-E196 PolarHBondContact O-N 3.23Å; I193-A197 PolarHBondContact O-N 3.37Å; I193-A197 VanDerWaalsContact O-N 3.16Å
194G92.6Very high94.4Very high1 Ų121.4 Ų21.41%0.0112%0.119CC..Hα-helixtrans-57.6-37.7-173.300000114.2D198G194-D198 PolarHBondContact O-N 3.19Å
195S94.8Very high94.4Very high25 Ų2521.4 Ų21.418%0.17512%0.119CC..Hα-helixtrans-73.1-27.7177.850.40000114.3H131 I193 V199H131-S195 VanDerWaalsContact CE1-CA 3.49Å; H131-S195 WeakPolarHBondContact CE1-CA 3.4Å; H131-S195 WeakPolarHBondContact CE1-CB 3.42Å; I193-S195 VanDerWaalsContact C-N 3.29Å; I193-S195 WeakPolarHBondContact CG2-OG 3.42Å; I193-S195 PolarHBondContact O-N 2.89Å; S195-V199 WeakPolarHBondContact O-CG2 3.49Å; S195-V199 PolarHBondContact O-N 3.09Å
196E96.6Very high94.6Very high57 Ų5720.8 Ų20.827%0.26612%0.116SC..Hα-helixtrans-75-34.8176.3-63.6176.4164.400110.6I193 W200 P255 R258I193-E196 HydrophobicContact CB-CB 4.16Å; I193-E196 HydrophobicContact CB-CG 3.85Å; I193-E196 WeakPolarHBondContact CB-OE2 3.49Å; I193-E196 WeakPolarHBondContact CG1-OE2 3.29Å; I193-E196 HydrophobicContact CG2-CG 3.93Å; I193-E196 PolarHBondContact O-N 3.23Å; E196-W200 PolarHBondContact O-N 3.12Å; E196-P255 HydrophobicContact CB-CB 4.04Å; E196-P255 WeakPolarHBondContact OE2-CB 3.34Å; E196-R258 WeakPolarHBondContact O-CD 3.49Å; E196-R258 PolarHBondContact O-NH1 2.84Å
197A96Very high94.8Very high0 Ų020.4 Ų20.40%011%0.114CC..Hα-helixtrans-67.8-44.7170.500000111.9A183 L186 Y192 I193 V199 W200 S201A183-A197 HydrophobicContact CB-CB 4.06Å; L186-A197 HydrophobicContact CD1-CB 3.95Å; Y192-A197 HydrophobicContact CD2-CB 3.97Å; Y192-A197 HydrophobicContact CE2-CB 4.35Å; I193-A197 PolarHBondContact O-N 3.37Å; I193-A197 VanDerWaalsContact O-N 3.16Å; A197-V199 VanDerWaalsContact C-N 3.29Å; A197-V199 PolarHBondContact O-N 3.23Å; A197-W200 WeakPolarHBondContact O-CB 3.3Å; A197-W200 PolarHBondContact O-N 3.08Å; A197-W200 VanDerWaalsContact O-N 3.08Å; A197-S201 PolarHBondContact O-N 3.15Å; A197-S201 VanDerWaalsContact O-N 3.13Å; A197-S201 PolarHBondContact O-OG 2.73Å
198D96.7Very high95Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-56.7-39.6176.4-78.7-22000112.2M127 H131 A136 H137 R138 G194 W200 S201 M202M127-D198 HydrophobicContact CE-CB 3.92Å; M127-D198 VanDerWaalsContact CE-OD2 3.24Å; M127-D198 WeakPolarHBondContact CE-OD2 3.35Å; H131-D198 IonicContact CD2-OD2 3.58Å; H131-D198 IonicContact CE1-OD2 2.82Å; H131-D198 IonicContact NE2-OD2 3.61Å; H131-D198 PolarHBondContact NE2-OD2 3.41Å; A136-D198 WeakPolarHBondContact CA-OD2 3.44Å; H137-D198 PolarHBondContact N-OD1 2.8Å; H137-D198 PolarHBondContact N-OD2 2.83Å; R138-D198 PolarHBondContact N-OD1 2.91Å; G194-D198 PolarHBondContact O-N 3.19Å; D198-W200 PolarHBondContact O-N 2.88Å; D198-S201 PolarHBondContact O-N 2.81Å; D198-M202 VanDerWaalsContact O-CG 3.29Å; D198-M202 WeakPolarHBondContact O-CG 3.33Å; D198-M202 PolarHBondContact O-N 2.9Å
199V98.1Very high95.3Very high2 Ų214.6 Ų14.61%0.0129%0.086CC..Hα-helixtrans-65.4-36.4176.61710000112.4S195 A197 M202 G203 M250 R258 L259 V261S195-V199 WeakPolarHBondContact O-CG2 3.49Å; S195-V199 PolarHBondContact O-N 3.09Å; A197-V199 VanDerWaalsContact C-N 3.29Å; A197-V199 PolarHBondContact O-N 3.23Å; V199-M202 HydrophobicContact CG2-SD 4.48Å; V199-M202 PolarHBondContact O-N 2.76Å; V199-G203 PolarHBondContact O-N 3.13Å; V199-M250 HydrophobicContact CG1-CB 4.11Å; V199-M250 HydrophobicContact CG1-CE 4.2Å; V199-M250 HydrophobicContact CG1-CG 4.11Å; V199-M250 WeakPolarHBondContact O-CE 3.37Å; V199-R258 HydrophobicContact CG1-CB 4.39Å; V199-L259 WeakPolarHBondContact CG1-O 3.41Å; V199-V261 HydrophobicContact CG2-CG2 3.51Å
200W98.2Very high95.6Very high0 Ų013.2 Ų13.20%07%0.07CC..Hα-helixtrans-61.4-48.2173.4174.2-81.3000110.5A182 A183 P184 E196 A197 D198 M202 G203 V204 F216 I228 M251 V253A182-W200 PolarHBondContact O-NE1 3.23Å; A183-W200 VanDerWaalsContact CA-CD1 3.5Å; A183-W200 HydrophobicContact CB-CB 3.93Å; A183-W200 HydrophobicContact CB-CG 3.9Å; P184-W200 HydrophobicContact CG-CD2 4.46Å; P184-W200 HydrophobicContact CG-CE3 4.18Å; P184-W200 HydrophobicContact CG-CH2 3.56Å; P184-W200 HydrophobicContact CG-CZ2 3.86Å; P184-W200 HydrophobicContact CG-CZ3 3.74Å; E196-W200 PolarHBondContact O-N 3.12Å; A197-W200 WeakPolarHBondContact O-CB 3.3Å; A197-W200 PolarHBondContact O-N 3.08Å; A197-W200 VanDerWaalsContact O-N 3.08Å; D198-W200 PolarHBondContact O-N 2.88Å; W200-M202 VanDerWaalsContact C-N 3.33Å; W200-M202 PolarHBondContact O-N 3.23Å; W200-G203 WeakPolarHBondContact O-CA 3.3Å; W200-G203 PolarHBondContact O-N 2.5Å; W200-V204 PolarHBondContact O-N 3.01Å; W200-F216 AromaticContact CH2-CE2 3.88Å; W200-F216 HydrophobicContact CH2-CE2 3.88Å; W200-F216 AromaticContact CH2-CZ 3.96Å; W200-F216 HydrophobicContact CH2-CZ 3.96Å; W200-F216 HydrophobicContact CZ2-CD2 4.1Å; W200-F216 AromaticContact CZ2-CE2 3.37Å; W200-F216 HydrophobicContact CZ2-CE2 3.37Å; W200-F216 AromaticContact CZ2-CZ 3.92Å; W200-F216 HydrophobicContact CZ2-CZ 3.92Å; W200-I228 HydrophobicContact CZ2-CG2 4.01Å; W200-M251 HydrophobicContact CE3-CB 4.11Å; W200-M251 HydrophobicContact CE3-CG 4.49Å; W200-M251 HydrophobicContact CH2-CB 4.42Å; W200-M251 HydrophobicContact CZ3-CB 4Å; W200-M251 WeakPolarHBondContact CZ3-O 3.39Å; W200-V253 HydrophobicContact CZ3-CG2 4.46Å
201S97.4Very high95.8Very high5 Ų58 Ų84%0.0355%0.048CC..Hα-helixtrans-61.9-38.1177-50.90000112.3Y181 A197 D198 G203 V204 L205Y181-S201 PolarHBondContact O-OG 3.4Å; A197-S201 PolarHBondContact O-N 3.15Å; A197-S201 VanDerWaalsContact O-N 3.13Å; A197-S201 PolarHBondContact O-OG 2.73Å; D198-S201 PolarHBondContact O-N 2.81Å; S201-G203 VanDerWaalsContact C-N 3.27Å; S201-G203 PolarHBondContact O-N 2.75Å; S201-V204 PolarHBondContact O-N 3.07Å; S201-L205 VanDerWaalsContact O-CB 3.29Å; S201-L205 WeakPolarHBondContact O-CB 3.42Å; S201-L205 PolarHBondContact O-N 2.92Å
202M98.2Very high95.8Very high0 Ų06.5 Ų6.50%04%0.036CC..Hα-helixtrans-60.3-34.8170.4-69.617170.700112.3F120 I123 V124 M127 L140 D198 V199 W200 L206 M250 V261 L264F120-M202 HydrophobicContact CE2-CB 4.42Å; F120-M202 HydrophobicContact CZ-CE 4.19Å; I123-M202 HydrophobicContact CG2-CE 4.38Å; I123-M202 HydrophobicContact CG2-CG 4.4Å; V124-M202 HydrophobicContact CB-CE 4.33Å; V124-M202 HydrophobicContact CG2-CE 3.61Å; M127-M202 HydrophobicContact CB-CE 4.42Å; M127-M202 HydrophobicContact CB-SD 4Å; M127-M202 HydrophobicContact CG-CG 4.4Å; M127-M202 HydrophobicContact CG-SD 3.92Å; L140-M202 HydrophobicContact CD2-CB 4.14Å; L140-M202 HydrophobicContact CD2-CG 3.22Å; D198-M202 VanDerWaalsContact O-CG 3.29Å; D198-M202 WeakPolarHBondContact O-CG 3.33Å; D198-M202 PolarHBondContact O-N 2.9Å; V199-M202 HydrophobicContact CG2-SD 4.48Å; V199-M202 PolarHBondContact O-N 2.76Å; W200-M202 VanDerWaalsContact C-N 3.33Å; W200-M202 PolarHBondContact O-N 3.23Å; M202-L206 WeakPolarHBondContact O-CB 3.46Å; M202-L206 PolarHBondContact O-N 2.96Å; M202-M250 VanDerWaalsContact C-CE 3.46Å; M202-M250 HydrophobicContact CB-CE 3.35Å; M202-V261 HydrophobicContact SD-CG2 4.09Å; M202-L264 HydrophobicContact CE-CD1 3.64Å; M202-L264 HydrophobicContact SD-CD1 4.38Å
203G98.2Very high95.6Very high0 Ų010.2 Ų10.20%05%0.05CC..Hα-helixtrans-71.3-42.9177.900000112.6V199 W200 S201 L205 L206 F207 M250V199-G203 PolarHBondContact O-N 3.13Å; W200-G203 WeakPolarHBondContact O-CA 3.3Å; W200-G203 PolarHBondContact O-N 2.5Å; S201-G203 VanDerWaalsContact C-N 3.27Å; S201-G203 PolarHBondContact O-N 2.75Å; G203-L205 VanDerWaalsContact C-N 3.33Å; G203-L206 PolarHBondContact O-N 3.26Å; G203-F207 PolarHBondContact O-N 2.86Å; G203-M250 VanDerWaalsContact N-CE 3.31Å
204V97.8Very high95.5Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-61.2-43.4172.41770000110.7Y181 W200 S201 F207 A208 L214 P215 M251Y181-V204 HydrophobicContact CD1-CB 3.97Å; Y181-V204 HydrophobicContact CD1-CG1 3.42Å; Y181-V204 VanDerWaalsContact CD1-CG1 3.42Å; Y181-V204 HydrophobicContact CE1-CG1 3.73Å; Y181-V204 HydrophobicContact CG-CG1 4.22Å; W200-V204 PolarHBondContact O-N 3.01Å; S201-V204 PolarHBondContact O-N 3.07Å; V204-F207 PolarHBondContact O-N 3.22Å; V204-A208 PolarHBondContact O-N 2.91Å; V204-L214 HydrophobicContact CG1-CD2 3.89Å; V204-P215 HydrophobicContact CB-CG 4.27Å; V204-P215 HydrophobicContact CG1-CG 3.92Å; V204-P215 HydrophobicContact CG2-CG 4.13Å; V204-M251 HydrophobicContact CG2-SD 3.95Å
205L96.1Very high95.7Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-62.1-43.2174.6171.561.4000112.6I123 L140 P142 L145 S201 G203 F207 A208 L209I123-L205 HydrophobicContact CD1-CD2 3.77Å; I123-L205 HydrophobicContact CD1-CG 4.37Å; I123-L205 HydrophobicContact CG1-CD2 4.42Å; I123-L205 HydrophobicContact CG2-CD2 4.07Å; L140-L205 HydrophobicContact CD2-CD2 4.02Å; L140-L205 HydrophobicContact CG-CD2 4.08Å; P142-L205 HydrophobicContact CB-CD1 4.42Å; P142-L205 HydrophobicContact CG-CD1 3.62Å; L145-L205 HydrophobicContact CD1-CD1 4.23Å; L145-L205 HydrophobicContact CD1-CD2 3.56Å; S201-L205 VanDerWaalsContact O-CB 3.29Å; S201-L205 WeakPolarHBondContact O-CB 3.42Å; S201-L205 PolarHBondContact O-N 2.92Å; G203-L205 VanDerWaalsContact C-N 3.33Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.92Å; L205-A208 PolarHBondContact O-N 2.87Å; L205-L209 HydrophobicContact CD1-CD1 4Å; L205-L209 HydrophobicContact CD1-CG 4.28Å; L205-L209 HydrophobicContact CG-CD1 4.06Å; L205-L209 WeakPolarHBondContact O-CD1 3.5Å; L205-L209 VanDerWaalsContact O-CG 3.29Å; L205-L209 WeakPolarHBondContact O-CG 3.47Å; L205-L209 PolarHBondContact O-N 2.84Å
206L97.8Very high95.7Very high0 Ų09.1 Ų9.10%04%0.043CC..Hα-helixtrans-61.7-41.1175.3179.261.2000111.7T116 F120 M202 G203 L209 L210 L246 L247 M250 W269T116-L206 HydrophobicContact CG2-CD1 3.64Å; F120-L206 HydrophobicContact CB-CD1 4.47Å; F120-L206 HydrophobicContact CD2-CB 4.13Å; F120-L206 HydrophobicContact CD2-CD1 3.91Å; F120-L206 HydrophobicContact CD2-CG 4.47Å; F120-L206 HydrophobicContact CE2-CB 3.83Å; F120-L206 HydrophobicContact CE2-CD1 4.29Å; F120-L206 HydrophobicContact CE2-CD2 4.36Å; F120-L206 HydrophobicContact CE2-CG 4.38Å; F120-L206 HydrophobicContact CG-CD1 4.05Å; F120-L206 HydrophobicContact CZ-CB 4.46Å; F120-L206 HydrophobicContact CZ-CD2 4.23Å; M202-L206 WeakPolarHBondContact O-CB 3.46Å; M202-L206 PolarHBondContact O-N 2.96Å; G203-L206 PolarHBondContact O-N 3.26Å; L206-L209 PolarHBondContact O-N 2.93Å; L206-L210 HydrophobicContact CD1-CD1 3.93Å; L206-L210 HydrophobicContact CD1-CG 4.26Å; L206-L210 HydrophobicContact CG-CD1 4.04Å; L206-L210 WeakPolarHBondContact O-CG 3.49Å; L206-L210 PolarHBondContact O-N 3.28Å; L206-L210 VanDerWaalsContact O-N 3.14Å; L206-L246 HydrophobicContact CD2-CD2 3.55Å; L206-L246 HydrophobicContact CD2-CG 3.74Å; L206-L247 HydrophobicContact CB-CD2 4.02Å; L206-L247 HydrophobicContact CD2-CD2 3.92Å; L206-L247 HydrophobicContact CD2-CG 4.27Å; L206-L247 HydrophobicContact CG-CD2 3.83Å; L206-M250 HydrophobicContact CD2-SD 4.16Å; L206-W269 HydrophobicContact CD1-CH2 3.7Å; L206-W269 HydrophobicContact CD1-CZ2 4.19Å; L206-W269 HydrophobicContact CD1-CZ3 4.13Å
207F97.6Very high95.4Very high1 Ų19.2 Ų9.20%0.0045%0.045CC..Hα-helixtrans-62.2-49.5174.3-170-85000111G203 V204 L205 L209 L210 C211 Y213 P215 Y233 D234 L239 L247 M251G203-F207 PolarHBondContact O-N 2.86Å; V204-F207 PolarHBondContact O-N 3.22Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.92Å; F207-L209 VanDerWaalsContact C-N 3.27Å; F207-L209 PolarHBondContact O-N 3.23Å; F207-L210 PolarHBondContact O-N 3.09Å; F207-L210 VanDerWaalsContact O-N 3.13Å; F207-C211 HydrophobicContact CD1-CB 3.84Å; F207-C211 HydrophobicContact CE1-CB 3.57Å; F207-C211 VanDerWaalsContact CE2-SG 3.52Å; F207-C211 HydrophobicContact CG-CB 4.47Å; F207-C211 HydrophobicContact CZ-CB 3.98Å; F207-C211 WeakPolarHBondContact CZ-SG 3.14Å; F207-C211 VanDerWaalsContact O-CB 3.24Å; F207-C211 WeakPolarHBondContact O-CB 3.5Å; F207-C211 PolarHBondContact O-N 3.47Å; F207-Y213 VanDerWaalsContact CD1-O 3.24Å; F207-Y213 WeakPolarHBondContact CD1-O 3.45Å; F207-Y213 AromaticContact CE1-CD2 3.95Å; F207-Y213 HydrophobicContact CE1-CD2 3.95Å; F207-Y213 AromaticContact CE1-CE2 3.61Å; F207-Y213 HydrophobicContact CE1-CE2 3.61Å; F207-Y213 AromaticContact CE1-CZ 3.95Å; F207-Y213 WeakPolarHBondContact CE1-O 3.45Å; F207-Y213 AromaticContact CZ-CE2 3.84Å; F207-Y213 HydrophobicContact CZ-CE2 3.84Å; F207-Y213 AromaticContact CZ-CZ 3.91Å; F207-P215 HydrophobicContact CB-CB 4.29Å; F207-P215 HydrophobicContact CB-CG 4.11Å; F207-P215 HydrophobicContact CD1-CB 3.73Å; F207-P215 HydrophobicContact CD1-CG 4.05Å; F207-P215 HydrophobicContact CD2-CB 4.09Å; F207-P215 HydrophobicContact CE1-CB 4Å; F207-P215 HydrophobicContact CE2-CB 4.36Å; F207-P215 HydrophobicContact CG-CB 3.77Å; F207-P215 HydrophobicContact CG-CG 4.09Å; F207-P215 HydrophobicContact CZ-CB 4.3Å; F207-Y233 AromaticContact CD2-CD2 3.92Å; F207-Y233 HydrophobicContact CD2-CD2 3.92Å; F207-Y233 HydrophobicContact CD2-CE2 4.1Å; F207-Y233 AromaticContact CE2-CD2 3.54Å; F207-Y233 HydrophobicContact CE2-CD2 3.54Å; F207-Y233 HydrophobicContact CE2-CE2 4.01Å; F207-Y233 HydrophobicContact CZ-CD2 4.37Å; F207-D234 WeakPolarHBondContact CE2-O 3.4Å; F207-L239 HydrophobicContact CE2-CD1 4.49Å; F207-L247 HydrophobicContact CB-CD2 3.87Å; F207-L247 HydrophobicContact CD2-CD1 4.13Å; F207-L247 HydrophobicContact CD2-CD2 4.38Å; F207-M251 HydrophobicContact CB-CE 4.37Å
208A94.2Very high95Very high0 Ų011.2 Ų11.20%06%0.056CC..Hα-helixtrans-55.9-40.2178.500000112.8V204 L205 G212 W659V204-A208 PolarHBondContact O-N 2.91Å; L205-A208 PolarHBondContact O-N 2.87Å; A208-G212 VanDerWaalsContact O-CA 3.32Å; A208-G212 WeakPolarHBondContact O-CA 3.44Å; A208-G212 PolarHBondContact O-N 2.88Å; A208-W659 HydrophobicContact CB-CH2 4.22Å; A208-W659 HydrophobicContact CB-CZ2 3.85Å
209L94.8Very high94.3Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-66.1-43.4176.4-69.7159.3000112.7L101 I105 L111 T116 I123 L205 L206 F207L101-L209 HydrophobicContact CD1-CD2 4.13Å; L101-L209 HydrophobicContact CD2-CD2 4.1Å; L101-L209 HydrophobicContact CG-CD2 4.22Å; I105-L209 HydrophobicContact CD1-CD2 3.59Å; I105-L209 HydrophobicContact CD1-CG 4.17Å; I105-L209 HydrophobicContact CG1-CD2 3.85Å; L111-L209 WeakPolarHBondContact CB-O 3.34Å; L111-L209 HydrophobicContact CD1-CD2 3.58Å; L111-L209 HydrophobicContact CG-CD2 4.47Å; L111-L209 PolarHBondContact N-O 3.33Å; T116-L209 HydrophobicContact CG2-CB 3.52Å; T116-L209 HydrophobicContact CG2-CD1 4.07Å; T116-L209 HydrophobicContact CG2-CG 4.36Å; I123-L209 HydrophobicContact CD1-CD1 4.31Å; L205-L209 HydrophobicContact CD1-CD1 4Å; L205-L209 HydrophobicContact CD1-CG 4.28Å; L205-L209 HydrophobicContact CG-CD1 4.06Å; L205-L209 WeakPolarHBondContact O-CD1 3.5Å; L205-L209 VanDerWaalsContact O-CG 3.29Å; L205-L209 WeakPolarHBondContact O-CG 3.47Å; L205-L209 PolarHBondContact O-N 2.84Å; L206-L209 PolarHBondContact O-N 2.93Å; F207-L209 VanDerWaalsContact C-N 3.27Å; F207-L209 PolarHBondContact O-N 3.23Å
210L96.1Very high93.6Very high7 Ų723.1 Ų23.14%0.03712%0.12CC..Hα-helixtrans-81.4-29.8-176.8-66.8171.6000114.4E113 T116 L206 F207 W238 L239 L247 W269E113-L210 HydrophobicContact CB-CD2 4.37Å; E113-L210 HydrophobicContact CG-CD2 4.45Å; T116-L210 HydrophobicContact CG2-CD2 3.84Å; T116-L210 HydrophobicContact CG2-CG 3.98Å; L206-L210 HydrophobicContact CD1-CD1 3.93Å; L206-L210 HydrophobicContact CD1-CG 4.26Å; L206-L210 HydrophobicContact CG-CD1 4.04Å; L206-L210 WeakPolarHBondContact O-CG 3.49Å; L206-L210 PolarHBondContact O-N 3.28Å; L206-L210 VanDerWaalsContact O-N 3.14Å; F207-L210 PolarHBondContact O-N 3.09Å; F207-L210 VanDerWaalsContact O-N 3.13Å; L210-W238 PolarHBondContact O-NE1 2.81Å; L210-L239 HydrophobicContact CB-CD2 3.72Å; L210-L239 HydrophobicContact CD1-CD2 4.16Å; L210-L239 HydrophobicContact CG-CD2 4.48Å; L210-L247 HydrophobicContact CD1-CD1 4.35Å; L210-W269 HydrophobicContact CD1-CZ2 4.49Å; L210-W269 HydrophobicContact CD2-CZ2 4.35Å
211C94.3Very high92.9Very high6 Ų626.2 Ų26.24%0.04114%0.14CC..Hα-helixtrans-103.4-31.1-173.2-65.30000112.5F207 Y213F207-C211 HydrophobicContact CD1-CB 3.84Å; F207-C211 HydrophobicContact CE1-CB 3.57Å; F207-C211 VanDerWaalsContact CE2-SG 3.52Å; F207-C211 HydrophobicContact CG-CB 4.47Å; F207-C211 HydrophobicContact CZ-CB 3.98Å; F207-C211 WeakPolarHBondContact CZ-SG 3.14Å; F207-C211 VanDerWaalsContact O-CB 3.24Å; F207-C211 WeakPolarHBondContact O-CB 3.5Å; F207-C211 PolarHBondContact O-N 3.47Å; C211-Y213 VanDerWaalsContact C-N 3.3Å; C211-Y213 HydrophobicContact CB-CD1 3.8Å; C211-Y213 HydrophobicContact CB-CE1 3.64Å; C211-Y213 HydrophobicContact CB-CG 4.45Å; C211-Y213 WeakPolarHBondContact O-CD1 3.4Å
212G89.8Confident92.5Very high2 Ų232.1 Ų32.12%0.02117%0.169CC..SBendtrans79.310.6-173.300000114.3D109 A208 W659 K662D109-G212 WeakPolarHBondContact O-CA 3.44Å; A208-G212 VanDerWaalsContact O-CA 3.32Å; A208-G212 WeakPolarHBondContact O-CA 3.44Å; A208-G212 PolarHBondContact O-N 2.88Å; G212-W659 VanDerWaalsContact O-CZ3 3.31Å; G212-W659 WeakPolarHBondContact O-CZ3 3.35Å; G212-K662 PolarHBondContact O-NZ 3.11Å
213Y89.3Confident92.2Very high84 Ų8434.9 Ų34.933%0.32918%0.183SC..SBendtrans-149.6166.717667.4-88.6000109.8F207 C211 P236 W238 W659F207-Y213 VanDerWaalsContact CD1-O 3.24Å; F207-Y213 WeakPolarHBondContact CD1-O 3.45Å; F207-Y213 AromaticContact CE1-CD2 3.95Å; F207-Y213 HydrophobicContact CE1-CD2 3.95Å; F207-Y213 AromaticContact CE1-CE2 3.61Å; F207-Y213 HydrophobicContact CE1-CE2 3.61Å; F207-Y213 AromaticContact CE1-CZ 3.95Å; F207-Y213 WeakPolarHBondContact CE1-O 3.45Å; F207-Y213 AromaticContact CZ-CE2 3.84Å; F207-Y213 HydrophobicContact CZ-CE2 3.84Å; F207-Y213 AromaticContact CZ-CZ 3.91Å; C211-Y213 VanDerWaalsContact C-N 3.3Å; C211-Y213 HydrophobicContact CB-CD1 3.8Å; C211-Y213 HydrophobicContact CB-CE1 3.64Å; C211-Y213 HydrophobicContact CB-CG 4.45Å; C211-Y213 WeakPolarHBondContact O-CD1 3.4Å; Y213-P236 HydrophobicContact CE1-CG 4.26Å; Y213-P236 WeakPolarHBondContact OH-CG 3.29Å; Y213-W238 HydrophobicContact CE1-CZ2 4.36Å; Y213-W659 VanDerWaalsContact CA-CH2 3.42Å; Y213-W659 VanDerWaalsContact CA-CZ3 3.49Å
214L91.8Very high91.9Very high10 Ų1035.5 Ų35.55%0.05219%0.187CC..  trans-77.9147.5-178.6-76.1168.9000113A180 Y181 V204 F216 D217 W659A180-L214 HydrophobicContact CB-CD1 3.68Å; A180-L214 HydrophobicContact CB-CD2 4.25Å; Y181-L214 HydrophobicContact CE1-CD2 4.12Å; V204-L214 HydrophobicContact CG1-CD2 3.89Å; L214-F216 VanDerWaalsContact C-N 3.29Å; L214-F216 PolarHBondContact O-N 3.29Å; L214-D217 HydrophobicContact CB-CB 4.08Å; L214-D217 HydrophobicContact CD1-CB 4.28Å; L214-W659 HydrophobicContact CD1-CD2 4.21Å; L214-W659 HydrophobicContact CD1-CG 4.08Å; L214-W659 HydrophobicContact CD2-CZ2 3.9Å; L214-W659 HydrophobicContact CG-CD2 4.1Å; L214-W659 VanDerWaalsContact CG-CE2 3.48Å; L214-W659 HydrophobicContact CG-CG 4.48Å; L214-W659 HydrophobicContact CG-CZ2 3.7Å
215P95.6Very high91.7Very high14 Ų1437.4 Ų37.49%0.09119%0.194CC..SBendtrans-72.3-2417329.6-32.1000112.6V204 F207 Y233 M251V204-P215 HydrophobicContact CB-CG 4.27Å; V204-P215 HydrophobicContact CG1-CG 3.92Å; V204-P215 HydrophobicContact CG2-CG 4.13Å; F207-P215 HydrophobicContact CB-CB 4.29Å; F207-P215 HydrophobicContact CB-CG 4.11Å; F207-P215 HydrophobicContact CD1-CB 3.73Å; F207-P215 HydrophobicContact CD1-CG 4.05Å; F207-P215 HydrophobicContact CD2-CB 4.09Å; F207-P215 HydrophobicContact CE1-CB 4Å; F207-P215 HydrophobicContact CE2-CB 4.36Å; F207-P215 HydrophobicContact CG-CB 3.77Å; F207-P215 HydrophobicContact CG-CG 4.09Å; F207-P215 HydrophobicContact CZ-CB 4.3Å; P215-Y233 HydrophobicContact CB-CD2 4.41Å; P215-Y233 HydrophobicContact CB-CG 3.99Å; P215-Y233 VanDerWaalsContact O-CB 3.29Å; P215-Y233 WeakPolarHBondContact O-CB 3.48Å; P215-M251 HydrophobicContact CB-SD 4.37Å; P215-M251 HydrophobicContact CG-SD 4.05Å
216F95Very high91.6Very high3 Ų345 Ų451%0.01322%0.223CC..SBendtrans-137.2115.1175.3-41.9-71.3000108.3W200 L214 L224 K227 I228 Y233 M251W200-F216 AromaticContact CH2-CE2 3.88Å; W200-F216 HydrophobicContact CH2-CE2 3.88Å; W200-F216 AromaticContact CH2-CZ 3.96Å; W200-F216 HydrophobicContact CH2-CZ 3.96Å; W200-F216 HydrophobicContact CZ2-CD2 4.1Å; W200-F216 AromaticContact CZ2-CE2 3.37Å; W200-F216 HydrophobicContact CZ2-CE2 3.37Å; W200-F216 AromaticContact CZ2-CZ 3.92Å; W200-F216 HydrophobicContact CZ2-CZ 3.92Å; L214-F216 VanDerWaalsContact C-N 3.29Å; L214-F216 PolarHBondContact O-N 3.29Å; F216-L224 HydrophobicContact CB-CD1 4.06Å; F216-L224 WeakPolarHBondContact O-CD1 3.39Å; F216-K227 HydrophobicContact CB-CB 4.32Å; F216-K227 HydrophobicContact CD1-CB 4.33Å; F216-I228 HydrophobicContact CB-CG1 3.78Å; F216-I228 HydrophobicContact CD2-CG1 4.14Å; F216-I228 HydrophobicContact CG-CG1 4Å; F216-Y233 HydrophobicContact CE1-CD1 4.2Å; F216-Y233 AromaticContact CZ-CD1 3.94Å; F216-Y233 HydrophobicContact CZ-CD1 3.94Å; F216-M251 HydrophobicContact CE2-SD 4.14Å
217D90.6Very high91.5Very high59 Ų5948.8 Ų48.832%0.31624%0.239SC..  trans-145.6147.1178.3-153.6-10000110.2L214 K227 H663L214-D217 HydrophobicContact CB-CB 4.08Å; L214-D217 HydrophobicContact CD1-CB 4.28Å; D217-K227 WeakPolarHBondContact O-CD 3.14Å; D217-K227 PolarHBondContact O-NZ 2.93Å; D217-H663 IonicContact OD2-CE1 2.94Å
218D88.4Confident91.4Very high42 Ų4248.7 Ų48.723%0.22524%0.239CC..  trans-173.8134.5174.6-153.1-81.3000110.8N220 I223 L224 K227D218-N220 PolarHBondContact O-N 2.93Å; D218-N220 VanDerWaalsContact O-N 3.13Å; D218-N220 WeakPolarHBondContact OD1-CB 3.35Å; D218-N220 PolarHBondContact OD1-N 3.36Å; D218-I223 HydrophobicContact CB-CB 4.26Å; D218-I223 HydrophobicContact CB-CG2 4.41Å; D218-I223 WeakPolarHBondContact OD2-CG2 3.47Å; D218-L224 HydrophobicContact CB-CB 3.92Å; D218-K227 HydrophobicContact CB-CD 4.28Å; D218-K227 WeakPolarHBondContact OD2-CE 3.37Å; D218-K227 IonicContact OD2-NZ 2.98Å; D218-K227 PolarHBondContact OD2-NZ 2.93Å
219D80.6Confident91.5Very high173 Ų17351.3 Ų51.393%0.92525%0.252SS*.SBendtrans-56.5-29.2173.9-58-56.5000112.5
220N83.5Confident91.5Very high80 Ų8059.8 Ų59.843%0.42828%0.284SS..SBendtrans-94.6107.8177-169.6-51.3000110.7D218 M222 I223 L224D218-N220 PolarHBondContact O-N 2.93Å; D218-N220 VanDerWaalsContact O-N 3.13Å; D218-N220 WeakPolarHBondContact OD1-CB 3.35Å; D218-N220 PolarHBondContact OD1-N 3.36Å; N220-M222 PolarHBondContact O-N 3.22Å; N220-M222 WeakPolarHBondContact OD1-CB 3.48Å; N220-M222 PolarHBondContact OD1-N 3.02Å; N220-I223 HydrophobicContact CB-CB 4.22Å; N220-I223 HydrophobicContact CB-CD1 3.86Å; N220-I223 HydrophobicContact CB-CG1 3.85Å; N220-I223 WeakPolarHBondContact O-CA 3.46Å; N220-I223 PolarHBondContact O-N 3.44Å; N220-L224 PolarHBondContact O-N 3.01Å
221C85Confident91.5Very high64 Ų6460.2 Ų60.243%0.43229%0.29SS..Hα-helixtrans-47.9-35.5178.3-51.60000113.9L224 Y225C221-L224 PolarHBondContact O-N 3.46Å; C221-Y225 HydrophobicContact CB-CE1 4.47Å; C221-Y225 HydrophobicContact CB-CE2 4.41Å; C221-Y225 WeakPolarHBondContact O-CB 3.32Å; C221-Y225 WeakPolarHBondContact O-CD1 3.5Å; C221-Y225 WeakPolarHBondContact O-CD2 3.48Å; C221-Y225 PolarHBondContact O-N 3.42Å
222M88.9Confident91.5Very high129 Ų12967 Ų6764%0.63532%0.318SS*.Hα-helixtrans-76.3-23.3-179.6-57.9-66.8-80.500112.9N220 Y225 R226N220-M222 PolarHBondContact O-N 3.22Å; N220-M222 WeakPolarHBondContact OD1-CB 3.48Å; N220-M222 PolarHBondContact OD1-N 3.02Å; M222-Y225 HydrophobicContact SD-CD2 4.17Å; M222-Y225 HydrophobicContact SD-CE2 4.35Å; M222-R226 PolarHBondContact O-N 3.42Å
223I91.8Very high91.8Very high59 Ų5967.8 Ų67.830%0.30332%0.321SS..Hα-helixtrans-83.3-41170.6-52.6-179.1000109.9D218 N220 Y225 R226 K227D218-I223 HydrophobicContact CB-CB 4.26Å; D218-I223 HydrophobicContact CB-CG2 4.41Å; D218-I223 WeakPolarHBondContact OD2-CG2 3.47Å; N220-I223 HydrophobicContact CB-CB 4.22Å; N220-I223 HydrophobicContact CB-CD1 3.86Å; N220-I223 HydrophobicContact CB-CG1 3.85Å; N220-I223 WeakPolarHBondContact O-CA 3.46Å; N220-I223 PolarHBondContact O-N 3.44Å; I223-Y225 PolarHBondContact O-N 3.2Å; I223-R226 CarbonylContact O-C 3.55Å; I223-R226 WeakPolarHBondContact O-CA 3.34Å; I223-R226 WeakPolarHBondContact O-CB 3.18Å; I223-R226 PolarHBondContact O-N 2.74Å; I223-K227 PolarHBondContact O-N 3.11Å
224L91.7Very high91.9Very high13 Ų1370.2 Ų70.27%0.06834%0.34CS..Hα-helixtrans-53.6-50.8170.1173.957.7000111.1P179 F216 D218 N220 C221 R226 K227 I228P179-L224 HydrophobicContact CB-CD2 4.33Å; F216-L224 HydrophobicContact CB-CD1 4.06Å; F216-L224 WeakPolarHBondContact O-CD1 3.39Å; D218-L224 HydrophobicContact CB-CB 3.92Å; N220-L224 PolarHBondContact O-N 3.01Å; C221-L224 PolarHBondContact O-N 3.46Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 3.13Å; L224-K227 WeakPolarHBondContact O-CB 3.18Å; L224-K227 PolarHBondContact O-N 3.01Å; L224-I228 HydrophobicContact CD1-CD1 3.88Å; L224-I228 HydrophobicContact CD1-CG1 4.17Å; L224-I228 HydrophobicContact CG-CD1 3.93Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 2.89Å
225Y93Very high92Very high39 Ų3973 Ų7315%0.15336%0.355CS..Hα-helixtrans-58.7-40175.8-61.4-13000111.3P179 I187 C221 M222 I223 K227 I228 M229 F551P179-Y225 HydrophobicContact CB-CE1 4.33Å; I187-Y225 HydrophobicContact CD1-CD1 4.09Å; I187-Y225 HydrophobicContact CD1-CE1 3.94Å; I187-Y225 HydrophobicContact CG1-CD1 4.48Å; I187-Y225 HydrophobicContact CG2-CD1 3.74Å; I187-Y225 HydrophobicContact CG2-CD2 3.99Å; I187-Y225 HydrophobicContact CG2-CE1 4.38Å; I187-Y225 HydrophobicContact CG2-CG 3.54Å; C221-Y225 HydrophobicContact CB-CE1 4.47Å; C221-Y225 HydrophobicContact CB-CE2 4.41Å; C221-Y225 WeakPolarHBondContact O-CB 3.32Å; C221-Y225 WeakPolarHBondContact O-CD1 3.5Å; C221-Y225 WeakPolarHBondContact O-CD2 3.48Å; C221-Y225 PolarHBondContact O-N 3.42Å; M222-Y225 HydrophobicContact SD-CD2 4.17Å; M222-Y225 HydrophobicContact SD-CE2 4.35Å; I223-Y225 PolarHBondContact O-N 3.2Å; Y225-K227 PolarHBondContact O-N 2.77Å; Y225-I228 PolarHBondContact O-N 3.46Å; Y225-M229 WeakPolarHBondContact O-CB 3.14Å; Y225-M229 WeakPolarHBondContact O-CG 3.11Å; Y225-M229 PolarHBondContact O-N 2.94Å; Y225-F551 HydrophobicContact CE1-CZ 4.43Å; Y225-F551 VanDerWaalsContact OH-CD1 3.25Å; Y225-F551 WeakPolarHBondContact OH-CD1 3.44Å; Y225-F551 WeakPolarHBondContact OH-CE1 3.39Å; Y225-F551 VanDerWaalsContact OH-CZ 3.31Å; Y225-F551 WeakPolarHBondContact OH-CZ 3.22Å
226R94.8Very high92Very high160 Ų16073.2 Ų73.260%0.60436%0.356SS*.Hα-helixtrans-65.4-35176.3-162.3-175.1-59.1121.82.5112.7M222 I223 L224 R230M222-R226 PolarHBondContact O-N 3.42Å; I223-R226 CarbonylContact O-C 3.55Å; I223-R226 WeakPolarHBondContact O-CA 3.34Å; I223-R226 WeakPolarHBondContact O-CB 3.18Å; I223-R226 PolarHBondContact O-N 2.74Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 3.13Å; R226-R230 VanDerWaalsContact O-CB 3.28Å; R226-R230 WeakPolarHBondContact O-CB 3.36Å; R226-R230 PolarHBondContact O-N 3.29Å
227K95.6Very high91.9Very high79 Ų7982.7 Ų82.734%0.34340%0.4SS..Hα-helixtrans-64.5-50.3171.9-73.4167.41671700110.5F216 D217 D218 I223 L224 Y225 M229 R230 G231F216-K227 HydrophobicContact CB-CB 4.32Å; F216-K227 HydrophobicContact CD1-CB 4.33Å; D217-K227 WeakPolarHBondContact O-CD 3.14Å; D217-K227 PolarHBondContact O-NZ 2.93Å; D218-K227 HydrophobicContact CB-CD 4.28Å; D218-K227 WeakPolarHBondContact OD2-CE 3.37Å; D218-K227 IonicContact OD2-NZ 2.98Å; D218-K227 PolarHBondContact OD2-NZ 2.93Å; I223-K227 PolarHBondContact O-N 3.11Å; L224-K227 WeakPolarHBondContact O-CB 3.18Å; L224-K227 PolarHBondContact O-N 3.01Å; Y225-K227 PolarHBondContact O-N 2.77Å; K227-M229 PolarHBondContact O-N 2.98Å; K227-R230 PolarHBondContact O-N 3.11Å; K227-G231 PolarHBondContact O-N 3.19Å; K227-G231 VanDerWaalsContact O-N 3.08Å
228I95.7Very high92.2Very high0 Ų086 Ų860%041%0.409CS..Hα-helixtrans-59.1-47.3176.5-63.9168.3000111.2P179 P184 W200 F216 L224 Y225 R230 G231P179-I228 WeakPolarHBondContact O-CD1 3.42Å; P184-I228 HydrophobicContact CB-CG2 4.46Å; P184-I228 HydrophobicContact CG-CG2 4.04Å; W200-I228 HydrophobicContact CZ2-CG2 4.01Å; F216-I228 HydrophobicContact CB-CG1 3.78Å; F216-I228 HydrophobicContact CD2-CG1 4.14Å; F216-I228 HydrophobicContact CG-CG1 4Å; L224-I228 HydrophobicContact CD1-CD1 3.88Å; L224-I228 HydrophobicContact CD1-CG1 4.17Å; L224-I228 HydrophobicContact CG-CD1 3.93Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 2.89Å; Y225-I228 PolarHBondContact O-N 3.46Å; I228-R230 PolarHBondContact O-N 2.87Å; I228-G231 PolarHBondContact O-N 3.11Å; I228-G231 VanDerWaalsContact O-N 3.1Å
229M94.9Very high92.6Very high55 Ų5584.9 Ų84.927%0.27140%0.402SS..Hα-helixtrans-58.3-34.9177.9-72.2-42.989.200112.7P184 I187 Q188 Y225 K227P184-M229 HydrophobicContact CB-CE 3.88Å; P184-M229 HydrophobicContact CB-SD 4.47Å; P184-M229 WeakPolarHBondContact O-CE 3.39Å; I187-M229 HydrophobicContact CB-CE 3.69Å; I187-M229 HydrophobicContact CG1-CE 4.46Å; I187-M229 HydrophobicContact CG2-CE 3.66Å; Q188-M229 HydrophobicContact CG-CE 4.39Å; Q188-M229 HydrophobicContact CG-SD 3.47Å; Q188-M229 WeakPolarHBondContact CG-SD 3.33Å; Q188-M229 PolarHBondContact NE2-SD 2.82Å; Y225-M229 WeakPolarHBondContact O-CB 3.14Å; Y225-M229 WeakPolarHBondContact O-CG 3.11Å; Y225-M229 PolarHBondContact O-N 2.94Å; K227-M229 PolarHBondContact O-N 2.98Å
230R96.2Very high93.4Very high178 Ų17878.2 Ų78.267%0.67237%0.369SS*.Hα-helixtrans-80.3-23.2-178.6174.7171160.2138.7-8.4112.2R226 K227 I228 K232R226-R230 VanDerWaalsContact O-CB 3.28Å; R226-R230 WeakPolarHBondContact O-CB 3.36Å; R226-R230 PolarHBondContact O-N 3.29Å; K227-R230 PolarHBondContact O-N 3.11Å; I228-R230 PolarHBondContact O-N 2.87Å; R230-K232 HydrophobicContact CG-CB 4.12Å; R230-K232 HydrophobicContact CG-CD 4.29Å; R230-K232 HydrophobicContact CG-CG 4Å; R230-K232 PolarHBondContact O-N 2.88Å; R230-K232 VanDerWaalsContact O-N 3.13Å
231G94.9Very high94.1Very high16 Ų1679.4 Ų79.417%0.16538%0.381CS..THydrogen-bonded Turntrans57.126.1177.200000114.6K227 I228K227-G231 PolarHBondContact O-N 3.19Å; K227-G231 VanDerWaalsContact O-N 3.08Å; I228-G231 PolarHBondContact O-N 3.11Å; I228-G231 VanDerWaalsContact O-N 3.1Å
232K94.3Very high94.7Very high147 Ų14777.7 Ų77.764%0.63938%0.375SS*.  trans-111.4121.7176.4-64.5-169.4-177-171.10109.4R230R230-K232 HydrophobicContact CG-CB 4.12Å; R230-K232 HydrophobicContact CG-CD 4.29Å; R230-K232 HydrophobicContact CG-CG 4Å; R230-K232 PolarHBondContact O-N 2.88Å; R230-K232 VanDerWaalsContact O-N 3.13Å
233Y95.4Very high95.2Very high20 Ų2071.6 Ų71.68%0.07835%0.345CS..  trans-128.8155175.760.1-84.8000107.8F207 P215 F216 N248 M251F207-Y233 AromaticContact CD2-CD2 3.92Å; F207-Y233 HydrophobicContact CD2-CD2 3.92Å; F207-Y233 HydrophobicContact CD2-CE2 4.1Å; F207-Y233 AromaticContact CE2-CD2 3.54Å; F207-Y233 HydrophobicContact CE2-CD2 3.54Å; F207-Y233 HydrophobicContact CE2-CE2 4.01Å; F207-Y233 HydrophobicContact CZ-CD2 4.37Å; P215-Y233 HydrophobicContact CB-CD2 4.41Å; P215-Y233 HydrophobicContact CB-CG 3.99Å; P215-Y233 VanDerWaalsContact O-CB 3.29Å; P215-Y233 WeakPolarHBondContact O-CB 3.48Å; F216-Y233 HydrophobicContact CE1-CD1 4.2Å; F216-Y233 AromaticContact CZ-CD1 3.94Å; F216-Y233 HydrophobicContact CZ-CD1 3.94Å; Y233-N248 VanDerWaalsContact OH-CG 3.25Å; Y233-N248 PolarHBondContact OH-N 2.92Å; Y233-N248 PolarHBondContact OH-ND2 3.17Å; Y233-N248 PolarHBondContact OH-OD1 3.27Å; Y233-M251 HydrophobicContact CD1-CE 4.17Å; Y233-M251 HydrophobicContact CE1-CB 4.44Å; Y233-M251 HydrophobicContact CE1-CE 3.71Å; Y233-M251 HydrophobicContact CE2-CE 4.06Å
234D92.6Very high95.5Very high135 Ų13570.5 Ų70.572%0.72234%0.341SS*.  trans-84.2149-179.9-63.2-54.6000111.5F207 P236F207-D234 WeakPolarHBondContact CE2-O 3.4Å; D234-P236 WeakPolarHBondContact O-CD 3.26Å
235N94.2Very high95.8Very high69 Ų6974.1 Ų74.137%0.36936%0.359SS..  trans-110.1105.4-179.3-72-88.3000109.6L239 V244N235-L239 HydrophobicContact CB-CD1 4.49Å; N235-V244 HydrophobicContact CB-CG2 4.37Å
236P94.4Very high96.1Very high17 Ų1772.3 Ų72.311%0.1135%0.352CS..  trans-58.4148.5175.7-29.437000113.8Y213 D234 W238 L239Y213-P236 HydrophobicContact CE1-CG 4.26Å; Y213-P236 WeakPolarHBondContact OH-CG 3.29Å; D234-P236 WeakPolarHBondContact O-CD 3.26Å; P236-W238 HydrophobicContact CB-CD2 3.53Å; P236-W238 VanDerWaalsContact CB-CE2 3.4Å; P236-W238 HydrophobicContact CB-CE3 3.71Å; P236-W238 HydrophobicContact CB-CG 4.22Å; P236-W238 HydrophobicContact CB-CH2 3.7Å; P236-W238 HydrophobicContact CB-CZ2 3.51Å; P236-W238 HydrophobicContact CB-CZ3 3.8Å; P236-W238 HydrophobicContact CG-CH2 4.03Å; P236-W238 HydrophobicContact CG-CZ2 3.69Å; P236-W238 PolarHBondContact O-N 2.68Å; P236-L239 HydrophobicContact CB-CG 4.48Å; P236-L239 WeakPolarHBondContact O-CB 3.42Å; P236-L239 PolarHBondContact O-N 3.06Å
237Q94.3Very high96.2Very high203 Ų20364.7 Ų64.795%0.94932%0.323SS*.THydrogen-bonded Turntrans-61.2-17.7-179.4-62.6179.8-0.900114.1
238W95.8Very high96.4Very high129 Ų12964 Ų6449%0.48932%0.323SS..THydrogen-bonded Turntrans-86.8-5.8176.264.978.3000114.2L210 Y213 P236L210-W238 PolarHBondContact O-NE1 2.81Å; Y213-W238 HydrophobicContact CE1-CZ2 4.36Å; P236-W238 HydrophobicContact CB-CD2 3.53Å; P236-W238 VanDerWaalsContact CB-CE2 3.4Å; P236-W238 HydrophobicContact CB-CE3 3.71Å; P236-W238 HydrophobicContact CB-CG 4.22Å; P236-W238 HydrophobicContact CB-CH2 3.7Å; P236-W238 HydrophobicContact CB-CZ2 3.51Å; P236-W238 HydrophobicContact CB-CZ3 3.8Å; P236-W238 HydrophobicContact CG-CH2 4.03Å; P236-W238 HydrophobicContact CG-CZ2 3.69Å; P236-W238 PolarHBondContact O-N 2.68Å
239L97.6Very high96.5Very high18 Ų1867.5 Ų67.59%0.09434%0.34CS..SBendtrans-76.6125.9171.7-65.1-173.9000110F207 L210 N235 P236 V244 L247F207-L239 HydrophobicContact CE2-CD1 4.49Å; L210-L239 HydrophobicContact CB-CD2 3.72Å; L210-L239 HydrophobicContact CD1-CD2 4.16Å; L210-L239 HydrophobicContact CG-CD2 4.48Å; N235-L239 HydrophobicContact CB-CD1 4.49Å; P236-L239 HydrophobicContact CB-CG 4.48Å; P236-L239 WeakPolarHBondContact O-CB 3.42Å; P236-L239 PolarHBondContact O-N 3.06Å; L239-V244 HydrophobicContact CB-CG2 3.75Å; L239-V244 HydrophobicContact CD1-CG2 4.23Å; L239-L247 HydrophobicContact CD1-CD1 3.9Å
240S97.9Very high96.6Very high32 Ų3264.9 Ų64.922%0.22433%0.327CS..  trans-66.8154.7173750000111.5E113 G242 S243 V244E113-S240 WeakPolarHBondContact OE2-CB 3.33Å; E113-S240 PolarHBondContact OE2-OG 3.1Å; S240-G242 PolarHBondContact O-N 2.95Å; S240-G242 VanDerWaalsContact O-N 3.15Å; S240-S243 WeakPolarHBondContact O-CA 3.26Å; S240-S243 WeakPolarHBondContact O-CB 3.35Å; S240-S243 PolarHBondContact O-N 2.78Å; S240-S243 PolarHBondContact OG-N 3.47Å; S240-S243 PolarHBondContact OG-OG 3.02Å; S240-V244 PolarHBondContact O-N 2.78Å
241P97.9Very high96.7Very high105 Ų10556.6 Ų56.668%0.68230%0.296SS*.Hα-helixtrans-53.9-36175.2-2835.6000113.4V244 I245P241-V244 PolarHBondContact O-N 2.78Å; P241-I245 WeakPolarHBondContact O-CB 3.47Å; P241-I245 WeakPolarHBondContact O-CD1 3.42Å; P241-I245 VanDerWaalsContact O-CG1 3.22Å; P241-I245 WeakPolarHBondContact O-CG1 3.37Å; P241-I245 PolarHBondContact O-N 3.43Å
242G97.9Very high96.9Very high29 Ų2957.9 Ų57.930%0.29930%0.298SS..Hα-helixtrans-66.8-35.6175.900000113.4S240 L246 W269S240-G242 PolarHBondContact O-N 2.95Å; S240-G242 VanDerWaalsContact O-N 3.15Å; G242-L246 PolarHBondContact O-N 2.97Å; G242-L246 VanDerWaalsContact O-N 3.16Å; G242-W269 VanDerWaalsContact C-CD1 3.44Å
243S98.3Very high97Very high1 Ų153.4 Ų53.41%0.00728%0.283CS..Hα-helixtrans-66.7-47174-54.90000110.5E113 S240 I245 L246 L247 W269E113-S243 PolarHBondContact OE2-OG 2.97Å; E113-S243 VanDerWaalsContact OE2-OG 3.13Å; S240-S243 WeakPolarHBondContact O-CA 3.26Å; S240-S243 WeakPolarHBondContact O-CB 3.35Å; S240-S243 PolarHBondContact O-N 2.78Å; S240-S243 PolarHBondContact OG-N 3.47Å; S240-S243 PolarHBondContact OG-OG 3.02Å; S243-I245 VanDerWaalsContact C-N 3.34Å; S243-I245 PolarHBondContact O-N 3.27Å; S243-L246 PolarHBondContact O-N 3.34Å; S243-L247 WeakPolarHBondContact O-CB 3.44Å; S243-L247 WeakPolarHBondContact O-CD1 3.37Å; S243-L247 VanDerWaalsContact O-CG 3.23Å; S243-L247 WeakPolarHBondContact O-CG 3.23Å; S243-L247 PolarHBondContact O-N 2.96Å; S243-W269 PolarHBondContact OG-NE1 2.91Å
244V98.3Very high97.1Very high36 Ų3656 Ų5622%0.21830%0.298CS..Hα-helixtrans-61.3-40.4177.8176.10000111.6N235 L239 S240 P241 N248N235-V244 HydrophobicContact CB-CG2 4.37Å; L239-V244 HydrophobicContact CB-CG2 3.75Å; L239-V244 HydrophobicContact CD1-CG2 4.23Å; S240-V244 PolarHBondContact O-N 2.78Å; P241-V244 PolarHBondContact O-N 2.78Å; V244-N248 WeakPolarHBondContact CG1-ND2 3.22Å; V244-N248 WeakPolarHBondContact O-CB 3.26Å; V244-N248 PolarHBondContact O-N 2.94Å; V244-N248 PolarHBondContact O-ND2 3.08Å
245I98.3Very high97.3Very high89 Ų8951 Ų5146%0.45627%0.273SS..Hα-helixtrans-61.3-50.7175.4-72.7163.2000110.8P241 S243 L247 N248 Q249P241-I245 WeakPolarHBondContact O-CB 3.47Å; P241-I245 WeakPolarHBondContact O-CD1 3.42Å; P241-I245 VanDerWaalsContact O-CG1 3.22Å; P241-I245 WeakPolarHBondContact O-CG1 3.37Å; P241-I245 PolarHBondContact O-N 3.43Å; S243-I245 VanDerWaalsContact C-N 3.34Å; S243-I245 PolarHBondContact O-N 3.27Å; I245-L247 PolarHBondContact O-N 3.09Å; I245-N248 PolarHBondContact O-N 2.98Å; I245-Q249 HydrophobicContact CG2-CG 4.46Å; I245-Q249 WeakPolarHBondContact O-CB 3.49Å; I245-Q249 VanDerWaalsContact O-CG 3.29Å; I245-Q249 WeakPolarHBondContact O-CG 3.41Å; I245-Q249 PolarHBondContact O-N 3.29Å
246L98.6Very high97.3Very high0 Ų056.2 Ų56.20%029%0.292CS..Hα-helixtrans-61.5-47.3-179.4178.754000111.9F120 L206 G242 S243 N248 Q249 M250 L259 L264 W269 V270F120-L246 HydrophobicContact CE1-CD2 4.29Å; L206-L246 HydrophobicContact CD2-CD2 3.55Å; L206-L246 HydrophobicContact CD2-CG 3.74Å; G242-L246 PolarHBondContact O-N 2.97Å; G242-L246 VanDerWaalsContact O-N 3.16Å; S243-L246 PolarHBondContact O-N 3.34Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.29Å; L246-Q249 PolarHBondContact O-N 2.92Å; L246-Q249 VanDerWaalsContact O-N 3.13Å; L246-M250 HydrophobicContact CD1-CG 3.9Å; L246-M250 HydrophobicContact CD1-SD 3.61Å; L246-M250 HydrophobicContact CD2-SD 4.5Å; L246-M250 HydrophobicContact CG-CG 4.5Å; L246-M250 HydrophobicContact CG-SD 3.83Å; L246-M250 WeakPolarHBondContact O-CG 3.49Å; L246-M250 PolarHBondContact O-N 2.91Å; L246-L259 HydrophobicContact CD1-CD1 3.78Å; L246-L264 HydrophobicContact CD1-CD2 3.61Å; L246-W269 HydrophobicContact CB-CB 4.43Å; L246-W269 HydrophobicContact CD2-CB 4.05Å; L246-W269 HydrophobicContact CD2-CD2 3.74Å; L246-W269 HydrophobicContact CD2-CE3 3.4Å; L246-W269 VanDerWaalsContact CD2-CE3 3.4Å; L246-W269 HydrophobicContact CD2-CG 4.03Å; L246-W269 HydrophobicContact CD2-CZ3 4.16Å; L246-V270 HydrophobicContact CD2-CG2 4.22Å
247L98.6Very high97.4Very high0 Ų063.3 Ų63.30%032%0.317CS..Hα-helixtrans-57.2-44.8177.8-71.9165.5000111.7L206 F207 L210 L239 S243 I245 Q249 M250 M251L206-L247 HydrophobicContact CB-CD2 4.02Å; L206-L247 HydrophobicContact CD2-CD2 3.92Å; L206-L247 HydrophobicContact CD2-CG 4.27Å; L206-L247 HydrophobicContact CG-CD2 3.83Å; F207-L247 HydrophobicContact CB-CD2 3.87Å; F207-L247 HydrophobicContact CD2-CD1 4.13Å; F207-L247 HydrophobicContact CD2-CD2 4.38Å; L210-L247 HydrophobicContact CD1-CD1 4.35Å; L239-L247 HydrophobicContact CD1-CD1 3.9Å; S243-L247 WeakPolarHBondContact O-CB 3.44Å; S243-L247 WeakPolarHBondContact O-CD1 3.37Å; S243-L247 VanDerWaalsContact O-CG 3.23Å; S243-L247 WeakPolarHBondContact O-CG 3.23Å; S243-L247 PolarHBondContact O-N 2.96Å; I245-L247 PolarHBondContact O-N 3.09Å; L247-Q249 PolarHBondContact O-N 3.21Å; L247-M250 PolarHBondContact O-N 3.26Å; L247-M251 HydrophobicContact CB-CE 3.99Å; L247-M251 HydrophobicContact CD2-CE 3.8Å; L247-M251 HydrophobicContact CG-CE 4.49Å; L247-M251 WeakPolarHBondContact O-CB 3.29Å; L247-M251 PolarHBondContact O-N 3.48Å
248N97.8Very high97.6Very high65 Ų6554.5 Ų54.535%0.34827%0.274SS..Hα-helixtrans-66.7-34176.5-81.2-66.1000113.3Y233 V244 I245 L246 Q252Y233-N248 VanDerWaalsContact OH-CG 3.25Å; Y233-N248 PolarHBondContact OH-N 2.92Å; Y233-N248 PolarHBondContact OH-ND2 3.17Å; Y233-N248 PolarHBondContact OH-OD1 3.27Å; V244-N248 WeakPolarHBondContact CG1-ND2 3.22Å; V244-N248 WeakPolarHBondContact O-CB 3.26Å; V244-N248 PolarHBondContact O-N 2.94Å; V244-N248 PolarHBondContact O-ND2 3.08Å; I245-N248 PolarHBondContact O-N 2.98Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.29Å; N248-Q252 WeakPolarHBondContact O-CG 3.29Å; N248-Q252 PolarHBondContact O-NE2 3.13Å
249Q98.3Very high97.6Very high73 Ų7349.5 Ų49.534%0.34126%0.257SS..Hα-helixtrans-76.7-23.6177.8-72.2172.2-29.300113.3I245 L246 L247 R258 L259 H267I245-Q249 HydrophobicContact CG2-CG 4.46Å; I245-Q249 WeakPolarHBondContact O-CB 3.49Å; I245-Q249 VanDerWaalsContact O-CG 3.29Å; I245-Q249 WeakPolarHBondContact O-CG 3.41Å; I245-Q249 PolarHBondContact O-N 3.29Å; L246-Q249 PolarHBondContact O-N 2.92Å; L246-Q249 VanDerWaalsContact O-N 3.13Å; L247-Q249 PolarHBondContact O-N 3.21Å; Q249-R258 WeakPolarHBondContact O-CA 3.46Å; Q249-L259 HydrophobicContact CB-CD1 3.5Å; Q249-L259 VanDerWaalsContact CB-CD1 3.5Å; Q249-L259 HydrophobicContact CB-CG 3.88Å; Q249-L259 HydrophobicContact CG-CD1 4.47Å; Q249-L259 PolarHBondContact O-N 2.89Å; Q249-H267 PolarHBondContact OE1-NE2 3.01Å
250M98.4Very high97.6Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-87.2-45.3175.2-67.2176.572.800112.4F120 V199 M202 G203 L206 L246 L247 Q252 R258 L259 L264F120-M250 HydrophobicContact CE2-CE 4.25Å; F120-M250 HydrophobicContact CZ-CE 3.67Å; F120-M250 HydrophobicContact CZ-SD 3.9Å; V199-M250 HydrophobicContact CG1-CB 4.11Å; V199-M250 HydrophobicContact CG1-CE 4.2Å; V199-M250 HydrophobicContact CG1-CG 4.11Å; V199-M250 WeakPolarHBondContact O-CE 3.37Å; M202-M250 VanDerWaalsContact C-CE 3.46Å; M202-M250 HydrophobicContact CB-CE 3.35Å; G203-M250 VanDerWaalsContact N-CE 3.31Å; L206-M250 HydrophobicContact CD2-SD 4.16Å; L246-M250 HydrophobicContact CD1-CG 3.9Å; L246-M250 HydrophobicContact CD1-SD 3.61Å; L246-M250 HydrophobicContact CD2-SD 4.5Å; L246-M250 HydrophobicContact CG-CG 4.5Å; L246-M250 HydrophobicContact CG-SD 3.83Å; L246-M250 WeakPolarHBondContact O-CG 3.49Å; L246-M250 PolarHBondContact O-N 2.91Å; L247-M250 PolarHBondContact O-N 3.26Å; M250-Q252 VanDerWaalsContact C-N 3.27Å; M250-Q252 PolarHBondContact O-N 3.01Å; M250-R258 WeakPolarHBondContact O-CG 3.24Å; M250-L259 HydrophobicContact CG-CD1 4.32Å; M250-L264 HydrophobicContact CE-CD1 4Å; M250-L264 HydrophobicContact CG-CD2 4.29Å; M250-L264 HydrophobicContact SD-CD2 4.11Å
251M97.9Very high97.5Very high4 Ų451 Ų512%0.0227%0.266CS..SBendtrans-89.745.6-178-63.6-175.8-7400112.8W200 V204 F207 P215 F216 Y233 L247W200-M251 HydrophobicContact CE3-CB 4.11Å; W200-M251 HydrophobicContact CE3-CG 4.49Å; W200-M251 HydrophobicContact CH2-CB 4.42Å; W200-M251 HydrophobicContact CZ3-CB 4Å; W200-M251 WeakPolarHBondContact CZ3-O 3.39Å; V204-M251 HydrophobicContact CG2-SD 3.95Å; F207-M251 HydrophobicContact CB-CE 4.37Å; P215-M251 HydrophobicContact CB-SD 4.37Å; P215-M251 HydrophobicContact CG-SD 4.05Å; F216-M251 HydrophobicContact CE2-SD 4.14Å; Y233-M251 HydrophobicContact CD1-CE 4.17Å; Y233-M251 HydrophobicContact CE1-CB 4.44Å; Y233-M251 HydrophobicContact CE1-CE 3.71Å; Y233-M251 HydrophobicContact CE2-CE 4.06Å; L247-M251 HydrophobicContact CB-CE 3.99Å; L247-M251 HydrophobicContact CD2-CE 3.8Å; L247-M251 HydrophobicContact CG-CE 4.49Å; L247-M251 WeakPolarHBondContact O-CB 3.29Å; L247-M251 PolarHBondContact O-N 3.48Å
252Q98.1Very high97.3Very high44 Ų4455.9 Ų55.921%0.20627%0.271CS..  trans-75.2130.6168.1-70.1-69.3-67.500110.2N248 M250 D254 R257 R258N248-Q252 WeakPolarHBondContact O-CG 3.29Å; N248-Q252 PolarHBondContact O-NE2 3.13Å; M250-Q252 VanDerWaalsContact C-N 3.27Å; M250-Q252 PolarHBondContact O-N 3.01Å; Q252-D254 VanDerWaalsContact C-N 3.33Å; Q252-D254 PolarHBondContact O-N 3.14Å; Q252-R257 HydrophobicContact CB-CB 4.02Å; Q252-R257 HydrophobicContact CG-CB 3.97Å; Q252-R258 HydrophobicContact CB-CG 3.91Å; Q252-R258 PolarHBondContact O-NE 3.48Å; Q252-R258 PolarHBondContact O-NH2 2.8Å
253V97.3Very high97.3Very high53 Ų5359 Ų5932%0.32128%0.278SS..SBendtrans-63.6-40.4177.9177.80000111.3P184 W200 P255 R258P184-V253 HydrophobicContact CB-CG1 4.1Å; P184-V253 HydrophobicContact CG-CG1 4.16Å; W200-V253 HydrophobicContact CZ3-CG2 4.46Å; V253-P255 WeakPolarHBondContact O-CD 3.38Å; V253-R258 PolarHBondContact O-NH2 3.13Å
254D96.8Very high97.2Very high75 Ų7559 Ų5940%0.40128%0.277SS..SBendtrans-73.9114.8168.6177.62.3000109.5Q252 K256 R257Q252-D254 VanDerWaalsContact C-N 3.33Å; Q252-D254 PolarHBondContact O-N 3.14Å; D254-K256 PolarHBondContact O-N 3.02Å; D254-K256 WeakPolarHBondContact OD1-CB 3.15Å; D254-K256 PolarHBondContact OD1-N 3.21Å; D254-K256 VanDerWaalsContact OD1-N 3.08Å; D254-R257 HydrophobicContact CB-CB 4.37Å; D254-R257 HydrophobicContact CB-CG 4.21Å; D254-R257 PolarHBondContact O-N 3.26Å; D254-R257 VanDerWaalsContact O-N 3.13Å; D254-R257 WeakPolarHBondContact OD2-CD 3.46Å; D254-R257 WeakPolarHBondContact OD2-CG 3.49Å
255P96.1Very high97.2Very high30 Ų3058.3 Ų58.320%0.19527%0.272CS..G310 helixtrans-62.4-30.7-176.926.4-35000112.6E196 V253 R257 R258E196-P255 HydrophobicContact CB-CB 4.04Å; E196-P255 WeakPolarHBondContact OE2-CB 3.34Å; V253-P255 WeakPolarHBondContact O-CD 3.38Å; P255-R257 PolarHBondContact O-N 3.46Å; P255-R257 VanDerWaalsContact O-N 3.1Å; P255-R258 WeakPolarHBondContact O-CB 3.3Å; P255-R258 PolarHBondContact O-N 3.23Å; P255-R258 VanDerWaalsContact O-N 3.1Å
256K95.4Very high97.1Very high177 Ų17758.8 Ų58.877%0.7728%0.276SS*.G310 helixtrans-70.6-7.5180-60.7-174.8178.6-177.10113.7D254D254-K256 PolarHBondContact O-N 3.02Å; D254-K256 WeakPolarHBondContact OD1-CB 3.15Å; D254-K256 PolarHBondContact OD1-N 3.21Å; D254-K256 VanDerWaalsContact OD1-N 3.08Å
257R96.9Very high97.1Very high167 Ų16759.8 Ų59.863%0.6328%0.28SS*.G310 helixtrans-104.6-4.8176.5-67.9179.856.7179-4.5113.3Q252 D254 P255Q252-R257 HydrophobicContact CB-CB 4.02Å; Q252-R257 HydrophobicContact CG-CB 3.97Å; D254-R257 HydrophobicContact CB-CB 4.37Å; D254-R257 HydrophobicContact CB-CG 4.21Å; D254-R257 PolarHBondContact O-N 3.26Å; D254-R257 VanDerWaalsContact O-N 3.13Å; D254-R257 WeakPolarHBondContact OD2-CD 3.46Å; D254-R257 WeakPolarHBondContact OD2-CG 3.49Å; P255-R257 PolarHBondContact O-N 3.46Å; P255-R257 VanDerWaalsContact O-N 3.1Å
258R97.6Very high97.1Very high17 Ų1764.5 Ų64.56%0.06431%0.311CS..SBendtrans-70.6153.1175.9-61.1-179.8-168.2144.217.5110.4E185 E196 V199 Q249 M250 Q252 V253 P255E185-R258 IonicContact OE1-CZ 3.96Å; E185-R258 IonicContact OE1-NH1 2.88Å; E185-R258 PolarHBondContact OE1-NH1 2.85Å; E185-R258 IonicContact OE1-NH2 3.39Å; E185-R258 PolarHBondContact OE1-NH2 2.89Å; E185-R258 IonicContact OE2-CZ 2.68Å; E185-R258 IonicContact OE2-NH1 2.76Å; E185-R258 IonicContact OE2-NH2 2.92Å; E185-R258 PolarHBondContact OE2-NH2 3.28Å; E196-R258 WeakPolarHBondContact O-CD 3.49Å; E196-R258 PolarHBondContact O-NH1 2.84Å; V199-R258 HydrophobicContact CG1-CB 4.39Å; Q249-R258 WeakPolarHBondContact O-CA 3.46Å; M250-R258 WeakPolarHBondContact O-CG 3.24Å; Q252-R258 HydrophobicContact CB-CG 3.91Å; Q252-R258 PolarHBondContact O-NE 3.48Å; Q252-R258 PolarHBondContact O-NH2 2.8Å; V253-R258 PolarHBondContact O-NH2 3.13Å; P255-R258 WeakPolarHBondContact O-CB 3.3Å; P255-R258 PolarHBondContact O-N 3.23Å; P255-R258 VanDerWaalsContact O-N 3.1Å
259L96.7Very high97.1Very high24 Ų2461.8 Ų61.813%0.12630%0.296CS..PPolyproline II helixtrans-59145.3162.9-77.8163000110.4V199 L246 Q249 M250 Q263 L264V199-L259 WeakPolarHBondContact CG1-O 3.41Å; L246-L259 HydrophobicContact CD1-CD1 3.78Å; Q249-L259 HydrophobicContact CB-CD1 3.5Å; Q249-L259 VanDerWaalsContact CB-CD1 3.5Å; Q249-L259 HydrophobicContact CB-CG 3.88Å; Q249-L259 HydrophobicContact CG-CD1 4.47Å; Q249-L259 PolarHBondContact O-N 2.89Å; M250-L259 HydrophobicContact CG-CD1 4.32Å; L259-Q263 HydrophobicContact CD2-CB 3.69Å; L259-L264 HydrophobicContact CB-CD2 4.28Å; L259-L264 HydrophobicContact CB-CG 4.49Å; L259-L264 HydrophobicContact CD1-CD2 3.77Å
260T95.9Very high97Very high73 Ų7358.3 Ų58.345%0.44828%0.28SS..PPolyproline II helixtrans-82.3153.4162.863.80000109.9R262 Q263 L264T260-R262 PolarHBondContact O-N 3.15Å; T260-R262 VanDerWaalsContact O-N 3.13Å; T260-Q263 PolarHBondContact O-N 3.23Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.47Å; T260-Q263 PolarHBondContact OG1-N 3.02Å; T260-Q263 PolarHBondContact OG1-OE1 2.94Å; T260-L264 PolarHBondContact O-N 3.4Å
261V95.9Very high97Very high8 Ų860.5 Ų60.55%0.04829%0.29CS..Hα-helixtrans-58.1-29.1175.1-175.50000111.9M127 A128 H131 V199 M202 Q263 L264 L265M127-V261 HydrophobicContact CB-CG1 4.36Å; A128-V261 HydrophobicContact CB-CG1 3.84Å; H131-V261 WeakPolarHBondContact ND1-CG2 3.49Å; V199-V261 HydrophobicContact CG2-CG2 3.51Å; M202-V261 HydrophobicContact SD-CG2 4.09Å; V261-Q263 VanDerWaalsContact C-N 3.33Å; V261-Q263 PolarHBondContact O-N 2.94Å; V261-L264 WeakPolarHBondContact O-CB 3.48Å; V261-L264 PolarHBondContact O-N 2.91Å; V261-L264 VanDerWaalsContact O-N 3.09Å; V261-L265 PolarHBondContact O-N 3.31Å
262R94.9Very high96.9Very high208 Ų20864.7 Ų64.779%0.78531%0.309SS*.Hα-helixtrans-61.6-37.6173.4-173.8173.5179.7165.20.6112.9T260 L264 L265T260-R262 PolarHBondContact O-N 3.15Å; T260-R262 VanDerWaalsContact O-N 3.13Å; R262-L264 VanDerWaalsContact C-N 3.29Å; R262-L265 HydrophobicContact CG-CD1 4.44Å; R262-L265 WeakPolarHBondContact O-CB 3.41Å; R262-L265 WeakPolarHBondContact O-CG 3.27Å; R262-L265 PolarHBondContact O-N 3.31Å
263Q96.7Very high96.8Very high96 Ų9667.5 Ų67.545%0.44933%0.325SS..Hα-helixtrans-79.7-9.1175.6-65.6159.7-62.700113L259 T260 V261 H267L259-Q263 HydrophobicContact CD2-CB 3.69Å; T260-Q263 PolarHBondContact O-N 3.23Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.47Å; T260-Q263 PolarHBondContact OG1-N 3.02Å; T260-Q263 PolarHBondContact OG1-OE1 2.94Å; V261-Q263 VanDerWaalsContact C-N 3.33Å; V261-Q263 PolarHBondContact O-N 2.94Å; Q263-H267 WeakPolarHBondContact O-CB 3.2Å
264L97.4Very high96.7Very high0 Ų068.4 Ų68.40%032%0.323CS..Hα-helixtrans-83.1-16.6171.1-65.1176000112.6V124 M202 L246 M250 L259 T260 V261 R262 D266V124-L264 HydrophobicContact CG1-CB 3.92Å; V124-L264 HydrophobicContact CG2-CB 4.12Å; V124-L264 HydrophobicContact CG2-CD1 4.42Å; M202-L264 HydrophobicContact CE-CD1 3.64Å; M202-L264 HydrophobicContact SD-CD1 4.38Å; L246-L264 HydrophobicContact CD1-CD2 3.61Å; M250-L264 HydrophobicContact CE-CD1 4Å; M250-L264 HydrophobicContact CG-CD2 4.29Å; M250-L264 HydrophobicContact SD-CD2 4.11Å; L259-L264 HydrophobicContact CB-CD2 4.28Å; L259-L264 HydrophobicContact CB-CG 4.49Å; L259-L264 HydrophobicContact CD1-CD2 3.77Å; T260-L264 PolarHBondContact O-N 3.4Å; V261-L264 WeakPolarHBondContact O-CB 3.48Å; V261-L264 PolarHBondContact O-N 2.91Å; V261-L264 VanDerWaalsContact O-N 3.09Å; R262-L264 VanDerWaalsContact C-N 3.29Å; L264-D266 VanDerWaalsContact C-N 3.31Å; L264-D266 PolarHBondContact O-N 3.48Å
265L97.3Very high96.4Very high22 Ų2273.1 Ų73.112%0.11535%0.348CS..SBendtrans-65.3-34.5-178.2-63176000112.8V124 A128 V261 R262 P277 V278 W280V124-L265 HydrophobicContact CG1-CD2 3.98Å; A128-L265 HydrophobicContact CB-CD2 3.94Å; V261-L265 PolarHBondContact O-N 3.31Å; R262-L265 HydrophobicContact CG-CD1 4.44Å; R262-L265 WeakPolarHBondContact O-CB 3.41Å; R262-L265 WeakPolarHBondContact O-CG 3.27Å; R262-L265 PolarHBondContact O-N 3.31Å; L265-P277 CarbonylContact O-C 3.54Å; L265-P277 WeakPolarHBondContact O-CA 3.46Å; L265-V278 HydrophobicContact CD2-CB 3.94Å; L265-V278 HydrophobicContact CD2-CG1 4.27Å; L265-V278 PolarHBondContact O-N 3.17Å; L265-W280 HydrophobicContact CD2-CB 4.23Å; L265-W280 HydrophobicContact CD2-CG 4.11Å
266D96.9Very high96.3Very high98 Ų9874.2 Ų74.252%0.52436%0.357SS..SBendtrans-124.97.8-174.258.8-11.5000113.2L264 M271 P277L264-D266 VanDerWaalsContact C-N 3.31Å; L264-D266 PolarHBondContact O-N 3.48Å; D266-M271 VanDerWaalsContact O-CG 3.22Å; D266-M271 WeakPolarHBondContact O-CG 3.16Å; D266-P277 HydrophobicContact CB-CG 4.49Å
267H98.3Very high96.3Very high21 Ų2169.2 Ų69.210%0.09734%0.342CS..  trans-55.6134.9179.1-177.5-100000112Q249 Q263 W269 V270 M271Q249-H267 PolarHBondContact OE1-NE2 3.01Å; Q263-H267 WeakPolarHBondContact O-CB 3.2Å; H267-W269 VanDerWaalsContact C-N 3.29Å; H267-W269 PolarHBondContact ND1-N 2.88Å; H267-W269 PolarHBondContact O-N 3.34Å; H267-W269 VanDerWaalsContact O-N 3.07Å; H267-V270 HydrophobicContact CB-CB 4.33Å; H267-V270 HydrophobicContact CB-CG2 4.02Å; H267-V270 CarbonylContact O-C 3.53Å; H267-V270 WeakPolarHBondContact O-CA 3.47Å; H267-V270 WeakPolarHBondContact O-CB 3.37Å; H267-V270 PolarHBondContact O-N 2.94Å; H267-M271 PolarHBondContact O-N 3.43Å
268P97.6Very high96.3Very high100 Ų10061.6 Ų61.665%0.64932%0.315SS*.Hα-helixtrans-52.2-37.4-174.6-32.537.1000115.9V270 M271 K272P268-V270 VanDerWaalsContact C-N 3.34Å; P268-V270 PolarHBondContact O-N 2.91Å; P268-M271 PolarHBondContact O-N 2.95Å; P268-K272 WeakPolarHBondContact O-CB 3.32Å; P268-K272 PolarHBondContact O-N 3.5Å
269W98.3Very high96.2Very high8 Ų866 Ų663%0.0334%0.336CS..Hα-helixtrans-68.8-31.3175.4-177.697.1000113.1E113 T116 R117 F120 L206 L210 G242 S243 L246 H267E113-W269 HydrophobicContact CG-CZ2 3.77Å; T116-W269 HydrophobicContact CG2-CH2 4.15Å; R117-W269 HydrophobicContact CB-CH2 3.99Å; R117-W269 HydrophobicContact CB-CZ3 4.29Å; R117-W269 HydrophobicContact CG-CZ3 4.43Å; R117-W269 PolarHBondContact NE-O 2.61Å; R117-W269 PolarHBondContact NH2-O 3.4Å; F120-W269 HydrophobicContact CB-CH2 4.43Å; F120-W269 HydrophobicContact CB-CZ3 4.21Å; F120-W269 AromaticContact CD1-CZ3 3.79Å; F120-W269 HydrophobicContact CD1-CZ3 3.79Å; F120-W269 HydrophobicContact CG-CZ3 4.23Å; L206-W269 HydrophobicContact CD1-CH2 3.7Å; L206-W269 HydrophobicContact CD1-CZ2 4.19Å; L206-W269 HydrophobicContact CD1-CZ3 4.13Å; L210-W269 HydrophobicContact CD1-CZ2 4.49Å; L210-W269 HydrophobicContact CD2-CZ2 4.35Å; G242-W269 VanDerWaalsContact C-CD1 3.44Å; S243-W269 PolarHBondContact OG-NE1 2.91Å; L246-W269 HydrophobicContact CB-CB 4.43Å; L246-W269 HydrophobicContact CD2-CB 4.05Å; L246-W269 HydrophobicContact CD2-CD2 3.74Å; L246-W269 HydrophobicContact CD2-CE3 3.4Å; L246-W269 VanDerWaalsContact CD2-CE3 3.4Å; L246-W269 HydrophobicContact CD2-CG 4.03Å; L246-W269 HydrophobicContact CD2-CZ3 4.16Å; H267-W269 VanDerWaalsContact C-N 3.29Å; H267-W269 PolarHBondContact ND1-N 2.88Å; H267-W269 PolarHBondContact O-N 3.34Å; H267-W269 VanDerWaalsContact O-N 3.07Å
270V97.6Very high96.1Very high0 Ų068.7 Ų68.70%034%0.344CS..Hα-helixtrans-80.7-29.1178.8-176.40000110.9F120 R121 L246 H267 P268 V278F120-V270 HydrophobicContact CD1-CG2 4.25Å; F120-V270 HydrophobicContact CE1-CG2 4.19Å; R121-V270 HydrophobicContact CG-CG1 3.65Å; R121-V270 PolarHBondContact NH1-O 3.29Å; L246-V270 HydrophobicContact CD2-CG2 4.22Å; H267-V270 HydrophobicContact CB-CB 4.33Å; H267-V270 HydrophobicContact CB-CG2 4.02Å; H267-V270 CarbonylContact O-C 3.53Å; H267-V270 WeakPolarHBondContact O-CA 3.47Å; H267-V270 WeakPolarHBondContact O-CB 3.37Å; H267-V270 PolarHBondContact O-N 2.94Å; P268-V270 VanDerWaalsContact C-N 3.34Å; P268-V270 PolarHBondContact O-N 2.91Å; V270-V278 HydrophobicContact CG1-CG2 3.53Å
271M97.2Very high96Very high45 Ų4571 Ų7122%0.22235%0.353CS..Hα-helixtrans-83.1-25.4176.2-73.1-62-63.500114.5D266 H267 P268 D273 Y274 S276 P277D266-M271 VanDerWaalsContact O-CG 3.22Å; D266-M271 WeakPolarHBondContact O-CG 3.16Å; H267-M271 PolarHBondContact O-N 3.43Å; P268-M271 PolarHBondContact O-N 2.95Å; M271-D273 PolarHBondContact O-N 2.96Å; M271-Y274 CarbonylContact O-C 3.53Å; M271-Y274 WeakPolarHBondContact O-CA 3.44Å; M271-Y274 PolarHBondContact O-N 3.16Å; M271-S276 VanDerWaalsContact SD-C 3.51Å; M271-P277 VanDerWaalsContact SD-CA 3.53Å; M271-P277 HydrophobicContact SD-CB 4.47Å; M271-P277 HydrophobicContact SD-CG 4.41Å
272K96.3Very high95.7Very high93 Ų9372 Ų7240%0.40436%0.36SS..THydrogen-bonded Turntrans-51.9132.6177.7175.4-179.3161.4-166.40110.4E113 R117 P268 Y274E113-K272 IonicContact OE1-NZ 3.06Å; E113-K272 PolarHBondContact OE1-NZ 3.13Å; R117-K272 WeakPolarHBondContact CD-O 3.45Å; R117-K272 PolarHBondContact NE-O 3.38Å; P268-K272 WeakPolarHBondContact O-CB 3.32Å; P268-K272 PolarHBondContact O-N 3.5Å; K272-Y274 WeakPolarHBondContact O-CD2 3.2Å; K272-Y274 PolarHBondContact O-N 3.4Å
273D95.3Very high95.3Very high102 Ų10269.9 Ų69.955%0.54535%0.352SS..THydrogen-bonded Turntrans64.816.9-176.2-44.4-43.7000114.9Q114 R117 M271Q114-D273 PolarHBondContact OE1-OD2 3.26Å; R117-D273 IonicContact NH1-OD2 3.27Å; R117-D273 PolarHBondContact NH1-OD2 3.29Å; M271-D273 PolarHBondContact O-N 2.96Å
274Y95Very high94.1Very high73 Ų7368.3 Ų68.329%0.28635%0.345SS..  trans-135.6139.2174.9-75.1-92.2000112.9R117 V118 R121 M271 K272R117-Y274 HydrophobicContact CG-CD2 4.34Å; R117-Y274 HydrophobicContact CG-CE2 3.9Å; V118-Y274 WeakPolarHBondContact CG2-OH 3.48Å; R121-Y274 VanDerWaalsContact CD-CE2 3.42Å; M271-Y274 CarbonylContact O-C 3.53Å; M271-Y274 WeakPolarHBondContact O-CA 3.44Å; M271-Y274 PolarHBondContact O-N 3.16Å; K272-Y274 WeakPolarHBondContact O-CD2 3.2Å; K272-Y274 PolarHBondContact O-N 3.4Å
275N91Very high92.6Very high173 Ų17372.1 Ų72.193%0.92537%0.37SS*.SBendtrans-88.3-0.6-177.4-63.70.2000114.4
276S93.6Very high91.1Very high54 Ų5474.7 Ų74.738%0.37839%0.386SS..SBendtrans-145.6150.7-175.958.90000113R121 M271R121-S276 PolarHBondContact NH1-O 3.36Å; R121-S276 PolarHBondContact NH2-O 2.87Å; M271-S276 VanDerWaalsContact SD-C 3.51Å
277P95.5Very high89.7Confident71 Ų7174.7 Ų74.746%0.46140%0.4SS..  trans-53.7164.4169.1-27.636.7000113.3R121 L265 D266 M271 E279R121-P277 PolarHBondContact NH2-O 3.12Å; L265-P277 CarbonylContact O-C 3.54Å; L265-P277 WeakPolarHBondContact O-CA 3.46Å; D266-P277 HydrophobicContact CB-CG 4.49Å; M271-P277 VanDerWaalsContact SD-CA 3.53Å; M271-P277 HydrophobicContact SD-CB 4.47Å; M271-P277 HydrophobicContact SD-CG 4.41Å; P277-E279 PolarHBondContact O-N 3.21Å
278V96.9Very high88.8Confident8 Ų881.1 Ų81.15%0.04843%0.425CS..  trans-64.8115.9176.4176.70000110.6R121 V124 L265 V270 W280R121-V278 HydrophobicContact CB-CG2 4.17Å; R121-V278 HydrophobicContact CG-CG2 3.94Å; R121-V278 VanDerWaalsContact O-CG1 3.22Å; R121-V278 WeakPolarHBondContact O-CG1 3.23Å; V124-V278 HydrophobicContact CB-CG1 4.37Å; V124-V278 HydrophobicContact CG1-CB 4.26Å; V124-V278 HydrophobicContact CG1-CG1 4.09Å; V124-V278 HydrophobicContact CG1-CG2 4.17Å; L265-V278 HydrophobicContact CD2-CB 3.94Å; L265-V278 HydrophobicContact CD2-CG1 4.27Å; L265-V278 PolarHBondContact O-N 3.17Å; V270-V278 HydrophobicContact CG1-CG2 3.53Å; V278-W280 PolarHBondContact O-N 2.73Å
279E95.8Very high88.4Confident108 Ų10877.1 Ų77.151%0.50540%0.397SS..  trans-65.3111.2168.2-71.7177.7-154.500110.1S125 P277 R283S125-E279 VanDerWaalsContact CB-O 3.32Å; S125-E279 WeakPolarHBondContact CB-O 3.49Å; S125-E279 PolarHBondContact OG-O 2.85Å; P277-E279 PolarHBondContact O-N 3.21Å; E279-R283 IonicContact OE2-CZ 2.67Å; E279-R283 IonicContact OE2-NE 3.76Å; E279-R283 PolarHBondContact OE2-NE 3.2Å; E279-R283 IonicContact OE2-NH2 2.78Å; E279-R283 PolarHBondContact OE2-NH2 2.81Å
280W95.1Very high88.1Confident82 Ų8277.4 Ų77.431%0.31140%0.4SS..  trans-115.2-6.2179.264.9-88.5000113.6A128 L265 V278A128-W280 HydrophobicContact CB-CB 3.54Å; A128-W280 HydrophobicContact CB-CD2 4.23Å; A128-W280 HydrophobicContact CB-CE3 4.47Å; A128-W280 HydrophobicContact CB-CG 3.84Å; L265-W280 HydrophobicContact CD2-CB 4.23Å; L265-W280 HydrophobicContact CD2-CG 4.11Å; V278-W280 PolarHBondContact O-N 2.73Å
281L93.4Very high87.9Confident120 Ų12082.3 Ų82.363%0.62842%0.423SS*.SBendtrans-71.6143.8172.8-67.3176.3000109.7Q74 R283Q74-L281 PolarHBondContact NE2-O 3.02Å; L281-R283 PolarHBondContact O-N 3.36Å
282S90.2Very high87.8Confident29 Ų2984.6 Ų84.620%0.20344%0.436CS..  trans-69.4125.8177.3-178.50000111.3S72 Q284S72-S282 WeakPolarHBondContact O-CB 3.37Å; S72-S282 PolarHBondContact O-OG 2.67Å; S282-Q284 PolarHBondContact O-N 3Å; S282-Q284 PolarHBondContact OG-N 3.47Å; S282-Q284 VanDerWaalsContact OG-N 3.11Å; S282-Q284 PolarHBondContact OG-O 2.74Å
283R86.4Confident87.8Confident164 Ų16480.1 Ų80.162%0.61942%0.416SS*.SBendtrans-72.2-2.2170.5-63.8174.6178.6173.5-2.9113E279 L281E279-R283 IonicContact OE2-CZ 2.67Å; E279-R283 IonicContact OE2-NE 3.76Å; E279-R283 PolarHBondContact OE2-NE 3.2Å; E279-R283 IonicContact OE2-NH2 2.78Å; E279-R283 PolarHBondContact OE2-NH2 2.81Å; L281-R283 PolarHBondContact O-N 3.36Å
284Q71.7Confident87.9Confident63 Ų6375.3 Ų75.329%0.29439%0.391SS..SBendtrans-125.874.6176.1-64.6-169.82.200111.1S282 V286 Q332S282-Q284 PolarHBondContact O-N 3Å; S282-Q284 PolarHBondContact OG-N 3.47Å; S282-Q284 VanDerWaalsContact OG-N 3.11Å; S282-Q284 PolarHBondContact OG-O 2.74Å; Q284-V286 PolarHBondContact O-N 3.39Å; Q284-Q332 VanDerWaalsContact NE2-NE2 3.11Å
285P65.9Low87.9Confident80 Ų8073.4 Ų73.452%0.51939%0.387SS..  trans-66.4123.817527.9-34.3000111A287 Y288P285-A287 PolarHBondContact O-N 2.98Å; P285-Y288 PolarHBondContact O-N 3.3Å; P285-Y288 VanDerWaalsContact O-N 3.13Å
286V65.2Low88.2Confident76 Ų7666.1 Ų66.146%0.46135%0.347SS..THydrogen-bonded Turntrans-59.2-17.1-174.4-176.10000113.8Q284 W315Q284-V286 PolarHBondContact O-N 3.39Å; V286-W315 HydrophobicContact CG1-CD2 4.34Å; V286-W315 HydrophobicContact CG1-CG 4.49Å; V286-W315 HydrophobicContact CG1-CZ2 4.04Å
287A67.8Low88.3Confident99 Ų9963.7 Ų63.782%0.81833%0.33SS*.THydrogen-bonded Turntrans-75.7-23.8178.900000114.5P285P285-A287 PolarHBondContact O-N 2.98Å
288Y78.9Confident88.3Confident156 Ų15660.5 Ų60.561%0.61231%0.31SS*.  trans-92135.2179-175.6-101.2000111.3P285P285-Y288 PolarHBondContact O-N 3.3Å; P285-Y288 VanDerWaalsContact O-N 3.13Å
289I88.4Confident88.2Confident15 Ų1565.1 Ų65.18%0.07734%0.338CS..  trans-121.1138174.8-74.3-171.3000109.8I294 V312 K313 Y324I289-I294 HydrophobicContact CG2-CD1 3.7Å; I289-I294 HydrophobicContact CG2-CG1 3.25Å; I289-V312 HydrophobicContact CD1-CB 4.26Å; I289-V312 HydrophobicContact CD1-CG1 3.81Å; I289-K313 HydrophobicContact CD1-CD 4.27Å; I289-K313 HydrophobicContact CD1-CG 3.44Å; I289-K313 VanDerWaalsContact CD1-CG 3.44Å; I289-Y324 WeakPolarHBondContact CA-OH 3.5Å; I289-Y324 HydrophobicContact CG2-CE2 4.1Å
290D92.9Very high88.1Confident14 Ų1462.2 Ų62.28%0.07533%0.325CS..  trans-86.7111.5-175-171.2-86.9000111.2D292 C293 I294 Y324 L328 K331D290-D292 VanDerWaalsContact C-N 3.29Å; D290-D292 PolarHBondContact O-N 3.27Å; D290-D292 PolarHBondContact OD1-N 3.29Å; D290-C293 HydrophobicContact CB-CB 4.07Å; D290-C293 WeakPolarHBondContact O-CB 3.38Å; D290-C293 PolarHBondContact O-N 3.23Å; D290-C293 VanDerWaalsContact O-N 3.16Å; D290-C293 PolarHBondContact OD1-N 2.89Å; D290-C293 VanDerWaalsContact OD1-N 3.11Å; D290-C293 PolarHBondContact OD1-SG 2.77Å; D290-I294 PolarHBondContact O-N 2.78Å; D290-Y324 HydrophobicContact CB-CE2 4.46Å; D290-Y324 PolarHBondContact N-OH 3.01Å; D290-L328 HydrophobicContact CB-CD1 3.92Å; D290-K331 WeakPolarHBondContact OD1-CD 3.26Å; D290-K331 IonicContact OD1-NZ 2.65Å; D290-K331 PolarHBondContact OD1-NZ 2.96Å; D290-K331 WeakPolarHBondContact OD2-CD 3.27Å; D290-K331 IonicContact OD2-NZ 2.63Å; D290-K331 PolarHBondContact OD2-NZ 2.98Å
291E93.8Very high88Confident104 Ų10461.1 Ų61.149%0.48632%0.324SS..Hα-helixtrans-62-30.7-174.6-72.5-61.6142.100113.9T295E291-T295 WeakPolarHBondContact O-CB 3.47Å; E291-T295 PolarHBondContact O-N 3.06Å; E291-T295 PolarHBondContact O-OG1 2.9Å
292D95.1Very high88Confident92 Ų9264.5 Ų64.549%0.49233%0.334SS..Hα-helixtrans-70-42.3176.5-61.7-48.9000110.6D290 T295 E296 K331 V337D290-D292 VanDerWaalsContact C-N 3.29Å; D290-D292 PolarHBondContact O-N 3.27Å; D290-D292 PolarHBondContact OD1-N 3.29Å; D292-T295 PolarHBondContact O-N 3.25Å; D292-E296 PolarHBondContact O-N 3.08Å; D292-K331 WeakPolarHBondContact OD2-CE 3.23Å; D292-K331 IonicContact OD2-NZ 2.73Å; D292-K331 PolarHBondContact OD2-NZ 3.48Å; D292-V337 HydrophobicContact CB-CG1 4.18Å; D292-V337 HydrophobicContact CB-CG2 4.49Å
293C95.6Very high88.2Confident0 Ų069.7 Ų69.70%035%0.349CS..Hα-helixtrans-65.4-41.3176.5-65.30000111.7D290 M297 Y324 L327D290-C293 HydrophobicContact CB-CB 4.07Å; D290-C293 WeakPolarHBondContact O-CB 3.38Å; D290-C293 PolarHBondContact O-N 3.23Å; D290-C293 VanDerWaalsContact O-N 3.16Å; D290-C293 PolarHBondContact OD1-N 2.89Å; D290-C293 VanDerWaalsContact OD1-N 3.11Å; D290-C293 PolarHBondContact OD1-SG 2.77Å; C293-M297 WeakPolarHBondContact O-CB 3.33Å; C293-M297 VanDerWaalsContact O-CG 3.28Å; C293-M297 WeakPolarHBondContact O-CG 3.46Å; C293-M297 PolarHBondContact O-N 3.1Å; C293-M297 VanDerWaalsContact O-N 3.07Å; C293-Y324 HydrophobicContact CB-CD2 4.04Å; C293-Y324 HydrophobicContact CB-CE2 3.81Å; C293-L327 HydrophobicContact CB-CD2 4.11Å; C293-L327 HydrophobicContact CB-CG 4.31Å
294I96.6Very high88.7Confident1 Ų164.6 Ų64.61%0.00534%0.339CS..Hα-helixtrans-64.9-41.9172.6-67.2-55.6000111.7I289 D290 M297 A298 R305 T308 A309 V312 Y324I289-I294 HydrophobicContact CG2-CD1 3.7Å; I289-I294 HydrophobicContact CG2-CG1 3.25Å; D290-I294 PolarHBondContact O-N 2.78Å; I294-M297 PolarHBondContact O-N 3.18Å; I294-A298 WeakPolarHBondContact O-CB 3.19Å; I294-A298 PolarHBondContact O-N 3.22Å; I294-R305 HydrophobicContact CG2-CB 4.05Å; I294-R305 WeakPolarHBondContact CG2-O 3.37Å; I294-T308 HydrophobicContact CD1-CG2 4.43Å; I294-T308 HydrophobicContact CG2-CG2 4.48Å; I294-A309 HydrophobicContact CD1-CB 4.26Å; I294-A309 HydrophobicContact CG1-CB 4.32Å; I294-A309 HydrophobicContact CG2-CB 4.15Å; I294-V312 HydrophobicContact CD1-CB 4.19Å; I294-V312 HydrophobicContact CD1-CG2 3.82Å; I294-Y324 HydrophobicContact CD1-CD2 3.99Å; I294-Y324 HydrophobicContact CD1-CE2 4.03Å; I294-Y324 HydrophobicContact CG1-CE2 4.34Å
295T96.4Very high89.8Confident33 Ų3367.5 Ų67.520%0.20235%0.347CS..Hα-helixtrans-60.8-48.5179.9-660000111.4E291 D292 A298 V299 R305E291-T295 WeakPolarHBondContact O-CB 3.47Å; E291-T295 PolarHBondContact O-N 3.06Å; E291-T295 PolarHBondContact O-OG1 2.9Å; D292-T295 PolarHBondContact O-N 3.25Å; T295-A298 PolarHBondContact O-N 2.95Å; T295-V299 WeakPolarHBondContact O-CG2 3.16Å; T295-V299 PolarHBondContact O-N 2.89Å; T295-V299 VanDerWaalsContact O-N 3.17Å; T295-R305 PolarHBondContact OG1-NE 3.37Å; T295-R305 PolarHBondContact OG1-NH1 2.87Å
296E96.6Very high91.2Very high20 Ų2069.7 Ų69.79%0.09335%0.35CS..Hα-helixtrans-64.4-42.5177.8-178.468.7-179.600111.9D292 V299 N300 L327 V337 R338 L339D292-E296 PolarHBondContact O-N 3.08Å; E296-V299 PolarHBondContact O-N 3.37Å; E296-N300 PolarHBondContact O-N 3.29Å; E296-N300 VanDerWaalsContact O-N 3.07Å; E296-L327 HydrophobicContact CB-CD2 4.07Å; E296-L327 HydrophobicContact CG-CD2 4.1Å; E296-V337 HydrophobicContact CB-CG1 4.44Å; E296-R338 VanDerWaalsContact OE1-CA 3.25Å; E296-R338 WeakPolarHBondContact OE1-CA 3.43Å; E296-R338 VanDerWaalsContact OE1-CD 3.3Å; E296-R338 WeakPolarHBondContact OE1-CD 3.4Å; E296-R338 WeakPolarHBondContact OE2-CD 3.33Å; E296-R338 IonicContact OE2-CZ 3.7Å; E296-R338 IonicContact OE2-NE 3.99Å; E296-R338 IonicContact OE2-NH1 2.69Å; E296-R338 PolarHBondContact OE2-NH1 3.23Å; E296-L339 HydrophobicContact CG-CB 4.31Å; E296-L339 HydrophobicContact CG-CD1 4.24Å; E296-L339 HydrophobicContact CG-CG 3.87Å; E296-L339 PolarHBondContact OE1-N 2.79Å
297M96.2Very high92.6Very high2 Ų268 Ų681%0.0134%0.342CS..Hα-helixtrans-64.5-40.6176-76.2178.46400112.7C293 I294 V299 N300 M301 T308 V312 V320 T323 Y324 L327 L339C293-M297 WeakPolarHBondContact O-CB 3.33Å; C293-M297 VanDerWaalsContact O-CG 3.28Å; C293-M297 WeakPolarHBondContact O-CG 3.46Å; C293-M297 PolarHBondContact O-N 3.1Å; C293-M297 VanDerWaalsContact O-N 3.07Å; I294-M297 PolarHBondContact O-N 3.18Å; M297-V299 VanDerWaalsContact C-N 3.34Å; M297-V299 PolarHBondContact O-N 3.04Å; M297-N300 PolarHBondContact O-N 3.11Å; M297-M301 HydrophobicContact CE-SD 4.31Å; M297-M301 VanDerWaalsContact O-CB 3.29Å; M297-M301 WeakPolarHBondContact O-CB 3.35Å; M297-M301 VanDerWaalsContact O-CG 3.26Å; M297-M301 WeakPolarHBondContact O-CG 3.31Å; M297-M301 PolarHBondContact O-N 2.71Å; M297-T308 HydrophobicContact CB-CG2 3.78Å; M297-V312 HydrophobicContact CE-CG2 4.02Å; M297-V320 HydrophobicContact CE-CG1 3.76Å; M297-V320 WeakPolarHBondContact CE-O 3.42Å; M297-T323 HydrophobicContact CE-CG2 4.29Å; M297-T323 HydrophobicContact CG-CG2 4.09Å; M297-T323 HydrophobicContact SD-CG2 4.2Å; M297-Y324 WeakPolarHBondContact SD-CA 3.35Å; M297-Y324 VanDerWaalsContact SD-CB 3.58Å; M297-Y324 HydrophobicContact SD-CD2 4.01Å; M297-Y324 HydrophobicContact SD-CG 4.31Å; M297-L327 HydrophobicContact CG-CD2 4.13Å; M297-L339 HydrophobicContact CG-CD1 4.16Å
298A96Very high93.9Very high5 Ų563.3 Ų63.34%0.04130%0.303CS..Hα-helixtrans-62.9-41.1179.600000111.5I294 T295 K302 R303 R305 T308I294-A298 WeakPolarHBondContact O-CB 3.19Å; I294-A298 PolarHBondContact O-N 3.22Å; T295-A298 PolarHBondContact O-N 2.95Å; A298-K302 PolarHBondContact O-N 2.94Å; A298-R303 PolarHBondContact O-N 3.15Å; A298-R305 HydrophobicContact CB-CG 4.15Å; A298-T308 WeakPolarHBondContact CA-OG1 3.31Å; A298-T308 HydrophobicContact CB-CG2 4.37Å; A298-T308 WeakPolarHBondContact CB-OG1 3.32Å
299V94.8Very high94.7Very high105 Ų10556.5 Ų56.564%0.63628%0.279SS*.Hα-helixtrans-61.6-50.6172.8172.10000110.9T295 E296 M297 M301 K302T295-V299 WeakPolarHBondContact O-CG2 3.16Å; T295-V299 PolarHBondContact O-N 2.89Å; T295-V299 VanDerWaalsContact O-N 3.17Å; E296-V299 PolarHBondContact O-N 3.37Å; M297-V299 VanDerWaalsContact C-N 3.34Å; M297-V299 PolarHBondContact O-N 3.04Å; V299-M301 PolarHBondContact O-N 3.36Å; V299-K302 PolarHBondContact O-N 3.49Å
300N93.1Very high94.9Very high46 Ų4660 Ų6025%0.24630%0.301CS..Hα-helixtrans-62.8-41.3-179.9-17190.4000112.5E296 M297 K302 L339E296-N300 PolarHBondContact O-N 3.29Å; E296-N300 VanDerWaalsContact O-N 3.07Å; M297-N300 PolarHBondContact O-N 3.11Å; N300-K302 VanDerWaalsContact C-N 3.27Å; N300-K302 PolarHBondContact O-N 3.14Å; N300-L339 HydrophobicContact CB-CD1 3.68Å
301M92.1Very high95Very high59 Ų5961.4 Ų61.429%0.29131%0.309SS..THydrogen-bonded Turntrans-79.9-2.9179.3-64.9178.773.300113.8M297 V299 R303 T308 L311 V320M297-M301 HydrophobicContact CE-SD 4.31Å; M297-M301 VanDerWaalsContact O-CB 3.29Å; M297-M301 WeakPolarHBondContact O-CB 3.35Å; M297-M301 VanDerWaalsContact O-CG 3.26Å; M297-M301 WeakPolarHBondContact O-CG 3.31Å; M297-M301 PolarHBondContact O-N 2.71Å; V299-M301 PolarHBondContact O-N 3.36Å; M301-R303 VanDerWaalsContact C-N 3.29Å; M301-R303 HydrophobicContact CB-CB 4.46Å; M301-R303 HydrophobicContact CB-CG 4.48Å; M301-R303 PolarHBondContact O-N 2.92Å; M301-T308 HydrophobicContact SD-CG2 4.21Å; M301-L311 HydrophobicContact CE-CD1 4.19Å; M301-V320 HydrophobicContact CE-CG2 3.83Å; M301-V320 HydrophobicContact SD-CG1 4.49Å
302K94.3Very high95Very high192 Ų19256.5 Ų56.584%0.83529%0.285SS*.THydrogen-bonded Turntrans52.744.5-175.9-56.6172.2-173.1166.40112.4A298 V299 N300A298-K302 PolarHBondContact O-N 2.94Å; V299-K302 PolarHBondContact O-N 3.49Å; N300-K302 VanDerWaalsContact C-N 3.27Å; N300-K302 PolarHBondContact O-N 3.14Å
303R94.6Very high94.8Very high138 Ų13858.4 Ų58.452%0.52129%0.289SS..SBendtrans-128.7167.3-176.1-78.1174.9-178.9-104.4-1.5111.4A298 M301A298-R303 PolarHBondContact O-N 3.15Å; M301-R303 VanDerWaalsContact C-N 3.29Å; M301-R303 HydrophobicContact CB-CB 4.46Å; M301-R303 HydrophobicContact CB-CG 4.48Å; M301-R303 PolarHBondContact O-N 2.92Å
304S96.5Very high94.7Very high57 Ų5762.8 Ų62.840%0.39931%0.31SS..  trans-70.5159.9170.292.80000111.3E306 S307 T308S304-E306 VanDerWaalsContact C-N 3.32Å; S304-E306 WeakPolarHBondContact CB-OE2 3.47Å; S304-E306 PolarHBondContact OG-N 3.03Å; S304-E306 PolarHBondContact OG-OE2 2.58Å; S304-S307 PolarHBondContact OG-N 2.62Å; S304-S307 VanDerWaalsContact OG-N 3.15Å; S304-T308 WeakPolarHBondContact O-CB 3.45Å; S304-T308 PolarHBondContact O-N 2.72Å; S304-T308 VanDerWaalsContact O-N 3.1Å; S304-T308 PolarHBondContact O-OG1 3.2Å
305R95.3Very high94.5Very high124 Ų12465 Ų6547%0.46832%0.318SS..Hα-helixtrans-66.6-37.8178.8-65-174.4-172.7-173.61.1111.3I294 T295 A298 T308 A309I294-R305 HydrophobicContact CG2-CB 4.05Å; I294-R305 WeakPolarHBondContact CG2-O 3.37Å; T295-R305 PolarHBondContact OG1-NE 3.37Å; T295-R305 PolarHBondContact OG1-NH1 2.87Å; A298-R305 HydrophobicContact CB-CG 4.15Å; R305-T308 PolarHBondContact O-N 3.37Å; R305-A309 VanDerWaalsContact O-CB 3.29Å; R305-A309 WeakPolarHBondContact O-CB 3.44Å; R305-A309 PolarHBondContact O-N 3.27Å
306E94.8Very high94.4Very high125 Ų12568.2 Ų68.258%0.58433%0.329SS*.Hα-helixtrans-67.1-43.6-178.9-46.168.5-142.500110.5S304 T310S304-E306 VanDerWaalsContact C-N 3.32Å; S304-E306 WeakPolarHBondContact CB-OE2 3.47Å; S304-E306 PolarHBondContact OG-N 3.03Å; S304-E306 PolarHBondContact OG-OE2 2.58Å; E306-T310 WeakPolarHBondContact O-CB 3.24Å; E306-T310 PolarHBondContact O-N 3.38Å; E306-T310 PolarHBondContact O-OG1 3.25Å
307S95.8Very high94.4Very high41 Ų4167.7 Ų67.729%0.28733%0.327SS..Hα-helixtrans-61.9-44.2173.5-177.40000111.4S304 T310 L311S304-S307 PolarHBondContact OG-N 2.62Å; S304-S307 VanDerWaalsContact OG-N 3.15Å; S307-T310 PolarHBondContact O-N 3.23Å; S307-L311 WeakPolarHBondContact O-CG 3.27Å; S307-L311 PolarHBondContact O-N 2.82Å; S307-L311 VanDerWaalsContact O-N 3.08Å
308T94.6Very high94.3Very high0 Ų069.9 Ų69.90%034%0.338CS..Hα-helixtrans-66.7-46-179.8-53.70000111.7I294 M297 A298 M301 S304 R305 T310 L311 V312I294-T308 HydrophobicContact CD1-CG2 4.43Å; I294-T308 HydrophobicContact CG2-CG2 4.48Å; M297-T308 HydrophobicContact CB-CG2 3.78Å; A298-T308 WeakPolarHBondContact CA-OG1 3.31Å; A298-T308 HydrophobicContact CB-CG2 4.37Å; A298-T308 WeakPolarHBondContact CB-OG1 3.32Å; M301-T308 HydrophobicContact SD-CG2 4.21Å; S304-T308 WeakPolarHBondContact O-CB 3.45Å; S304-T308 PolarHBondContact O-N 2.72Å; S304-T308 VanDerWaalsContact O-N 3.1Å; S304-T308 PolarHBondContact O-OG1 3.2Å; R305-T308 PolarHBondContact O-N 3.37Å; T308-T310 VanDerWaalsContact C-N 3.3Å; T308-T310 PolarHBondContact O-N 2.91Å; T308-L311 PolarHBondContact O-N 2.81Å; T308-V312 WeakPolarHBondContact O-CG2 3.23Å; T308-V312 PolarHBondContact O-N 3.39Å
309A94.4Very high94.3Very high13 Ų1372.6 Ų72.611%0.10735%0.35CS..Hα-helixtrans-62.9-35.7174.900000112.3I294 R305 V312 K313I294-A309 HydrophobicContact CD1-CB 4.26Å; I294-A309 HydrophobicContact CG1-CB 4.32Å; I294-A309 HydrophobicContact CG2-CB 4.15Å; R305-A309 VanDerWaalsContact O-CB 3.29Å; R305-A309 WeakPolarHBondContact O-CB 3.44Å; R305-A309 PolarHBondContact O-N 3.27Å; A309-V312 PolarHBondContact O-N 2.96Å; A309-K313 VanDerWaalsContact O-CG 3.25Å; A309-K313 WeakPolarHBondContact O-CG 3.17Å; A309-K313 PolarHBondContact O-N 3.46Å
310T94.3Very high94.3Very high88 Ų8868.5 Ų68.554%0.5433%0.325SS..Hα-helixtrans-64-46.9175.4-580000111E306 S307 T308 V312 K313 E314E306-T310 WeakPolarHBondContact O-CB 3.24Å; E306-T310 PolarHBondContact O-N 3.38Å; E306-T310 PolarHBondContact O-OG1 3.25Å; S307-T310 PolarHBondContact O-N 3.23Å; T308-T310 VanDerWaalsContact C-N 3.3Å; T308-T310 PolarHBondContact O-N 2.91Å; T310-V312 PolarHBondContact O-N 3.08Å; T310-K313 PolarHBondContact O-N 2.94Å; T310-E314 PolarHBondContact O-N 3.02Å
311L94.2Very high94.5Very high45 Ų4566.3 Ų66.324%0.23631%0.313CS..Hα-helixtrans-60.8-40.9176.3-68168000112.4M301 S307 T308 K313 E314 V320M301-L311 HydrophobicContact CE-CD1 4.19Å; S307-L311 WeakPolarHBondContact O-CG 3.27Å; S307-L311 PolarHBondContact O-N 2.82Å; S307-L311 VanDerWaalsContact O-N 3.08Å; T308-L311 PolarHBondContact O-N 2.81Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 2.72Å; L311-E314 WeakPolarHBondContact CD2-OE2 3.13Å; L311-E314 WeakPolarHBondContact O-CB 3.39Å; L311-E314 PolarHBondContact O-N 2.73Å; L311-V320 HydrophobicContact CB-CG1 4.13Å
312V93Very high94.7Very high0 Ų063.5 Ų63.50%030%0.3CS..Hα-helixtrans-64.6-38175.5173.70000111.7I289 I294 M297 T308 A309 T310 E314 W315 V320 Y324I289-V312 HydrophobicContact CD1-CB 4.26Å; I289-V312 HydrophobicContact CD1-CG1 3.81Å; I294-V312 HydrophobicContact CD1-CB 4.19Å; I294-V312 HydrophobicContact CD1-CG2 3.82Å; M297-V312 HydrophobicContact CE-CG2 4.02Å; T308-V312 WeakPolarHBondContact O-CG2 3.23Å; T308-V312 PolarHBondContact O-N 3.39Å; A309-V312 PolarHBondContact O-N 2.96Å; T310-V312 PolarHBondContact O-N 3.08Å; V312-E314 PolarHBondContact O-N 2.95Å; V312-W315 HydrophobicContact CG1-CH2 4.35Å; V312-W315 HydrophobicContact CG1-CZ2 4.44Å; V312-W315 PolarHBondContact O-N 3.15Å; V312-W315 VanDerWaalsContact O-N 3.15Å; V312-V320 HydrophobicContact CG2-CG1 3.9Å; V312-Y324 HydrophobicContact CG1-CD1 3.66Å; V312-Y324 HydrophobicContact CG1-CD2 3.95Å; V312-Y324 HydrophobicContact CG1-CE1 4.06Å; V312-Y324 HydrophobicContact CG1-CE2 4.32Å; V312-Y324 HydrophobicContact CG1-CG 3.61Å; V312-Y324 HydrophobicContact CG2-CD2 4.23Å; V312-Y324 HydrophobicContact CG2-CG 4.15Å
313K92.4Very high94.8Very high132 Ų13254.7 Ų54.757%0.57426%0.262SS*.Hα-helixtrans-65.6-16.9176.9-73.9172.7-174.9179.30114.2I289 A309 T310 L311 W315I289-K313 HydrophobicContact CD1-CD 4.27Å; I289-K313 HydrophobicContact CD1-CG 3.44Å; I289-K313 VanDerWaalsContact CD1-CG 3.44Å; A309-K313 VanDerWaalsContact O-CG 3.25Å; A309-K313 WeakPolarHBondContact O-CG 3.17Å; A309-K313 PolarHBondContact O-N 3.46Å; T310-K313 PolarHBondContact O-N 2.94Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 2.72Å; K313-W315 PolarHBondContact O-N 2.6Å
314E92.4Very high94.9Very high92 Ų9248.2 Ų48.243%0.4324%0.238SC..THydrogen-bonded Turntrans-73.2-16.6174.4-61.1-179108.600113.1T310 L311 V312 K316T310-E314 PolarHBondContact O-N 3.02Å; L311-E314 WeakPolarHBondContact CD2-OE2 3.13Å; L311-E314 WeakPolarHBondContact O-CB 3.39Å; L311-E314 PolarHBondContact O-N 2.73Å; V312-E314 PolarHBondContact O-N 2.95Å; E314-K316 VanDerWaalsContact C-N 3.25Å; E314-K316 HydrophobicContact CB-CD 4.24Å; E314-K316 HydrophobicContact CB-CG 4.17Å; E314-K316 VanDerWaalsContact CD-CE 3.48Å; E314-K316 PolarHBondContact O-N 3.25Å; E314-K316 VanDerWaalsContact O-N 3.12Å; E314-K316 WeakPolarHBondContact OE1-CE 3.44Å; E314-K316 IonicContact OE1-NZ 2.71Å; E314-K316 PolarHBondContact OE1-NZ 3.13Å; E314-K316 WeakPolarHBondContact OE2-CE 3.23Å; E314-K316 IonicContact OE2-NZ 3.71Å; E314-K316 PolarHBondContact OE2-NZ 2.82Å
315W92.8Very high94.8Very high48 Ų4845.9 Ų45.918%0.18222%0.221CC..  trans45.345.6176.7-65.8108.7000114.1V286 V312 K313 Y317 T321 Y324 L325V286-W315 HydrophobicContact CG1-CD2 4.34Å; V286-W315 HydrophobicContact CG1-CG 4.49Å; V286-W315 HydrophobicContact CG1-CZ2 4.04Å; V312-W315 HydrophobicContact CG1-CH2 4.35Å; V312-W315 HydrophobicContact CG1-CZ2 4.44Å; V312-W315 PolarHBondContact O-N 3.15Å; V312-W315 VanDerWaalsContact O-N 3.15Å; K313-W315 PolarHBondContact O-N 2.6Å; W315-Y317 HydrophobicContact CB-CE2 4.39Å; W315-Y317 WeakPolarHBondContact O-CD2 3.3Å; W315-Y317 WeakPolarHBondContact O-CE2 3.22Å; W315-Y317 PolarHBondContact O-N 2.83Å; W315-T321 HydrophobicContact CE3-CG2 3.73Å; W315-T321 HydrophobicContact CZ3-CG2 4.04Å; W315-Y324 AromaticContact CH2-CD1 3.94Å; W315-Y324 HydrophobicContact CH2-CD1 3.94Å; W315-Y324 AromaticContact CH2-CE1 3.82Å; W315-Y324 HydrophobicContact CH2-CE1 3.82Å; W315-Y324 HydrophobicContact CZ3-CD1 4.32Å; W315-L325 HydrophobicContact CH2-CD2 4.05Å; W315-L325 HydrophobicContact CZ3-CD1 4.12Å; W315-L325 HydrophobicContact CZ3-CD2 3.79Å; W315-L325 HydrophobicContact CZ3-CG 3.98Å
316K94.6Very high94.9Very high100 Ų10040.1 Ų40.144%0.43520%0.199SC..  trans-66-24.5-178-77.9167.1-179.5162.20112.9K69 E314 D318 T321K69-K316 PolarHBondContact NZ-O 2.95Å; E314-K316 VanDerWaalsContact C-N 3.25Å; E314-K316 HydrophobicContact CB-CD 4.24Å; E314-K316 HydrophobicContact CB-CG 4.17Å; E314-K316 VanDerWaalsContact CD-CE 3.48Å; E314-K316 PolarHBondContact O-N 3.25Å; E314-K316 VanDerWaalsContact O-N 3.12Å; E314-K316 WeakPolarHBondContact OE1-CE 3.44Å; E314-K316 IonicContact OE1-NZ 2.71Å; E314-K316 PolarHBondContact OE1-NZ 3.13Å; E314-K316 WeakPolarHBondContact OE2-CE 3.23Å; E314-K316 IonicContact OE2-NZ 3.71Å; E314-K316 PolarHBondContact OE2-NZ 2.82Å; K316-D318 VanDerWaalsContact C-N 3.35Å; K316-D318 HydrophobicContact CB-CB 4.16Å; K316-T321 PolarHBondContact N-OG1 3.03Å
317Y95.6Very high94.9Very high10 Ų1034.1 Ų34.14%0.03917%0.171CC..  trans60.845.2-167.2-63.4-96.1000111.6K69 R78 L79 H81 V82 W315 T321 L325K69-Y317 HydrophobicContact CB-CD2 4.08Å; K69-Y317 HydrophobicContact CB-CE2 3.64Å; K69-Y317 HydrophobicContact CD-CD2 3.48Å; K69-Y317 VanDerWaalsContact CD-CD2 3.48Å; K69-Y317 HydrophobicContact CD-CE2 3.95Å; K69-Y317 HydrophobicContact CD-CG 4.19Å; K69-Y317 HydrophobicContact CG-CD2 3.45Å; K69-Y317 VanDerWaalsContact CG-CD2 3.45Å; K69-Y317 HydrophobicContact CG-CE2 3.56Å; K69-Y317 HydrophobicContact CG-CG 4.01Å; K69-Y317 PolarHBondContact O-OH 2.74Å; R78-Y317 PolarHBondContact NH1-OH 2.86Å; R78-Y317 PolarHBondContact NH2-OH 2.73Å; L79-Y317 HydrophobicContact CB-CD1 4.4Å; L79-Y317 HydrophobicContact CB-CE1 4.33Å; L79-Y317 HydrophobicContact CD2-CD1 4.05Å; L79-Y317 HydrophobicContact CD2-CE1 4.39Å; L79-Y317 HydrophobicContact CD2-CG 4.38Å; L79-Y317 HydrophobicContact CG-CD1 3.86Å; L79-Y317 HydrophobicContact CG-CE1 4.26Å; L79-Y317 VanDerWaalsContact O-CE1 3.31Å; L79-Y317 WeakPolarHBondContact O-CE1 3.46Å; H81-Y317 CarbonylContact C-O 3.49Å; H81-Y317 WeakPolarHBondContact CA-O 3.13Å; H81-Y317 PolarHBondContact CD2-O 2.73Å; H81-Y317 VanDerWaalsContact CD2-O 3.28Å; V82-Y317 PolarHBondContact N-O 3.23Å; W315-Y317 HydrophobicContact CB-CE2 4.39Å; W315-Y317 WeakPolarHBondContact O-CD2 3.3Å; W315-Y317 WeakPolarHBondContact O-CE2 3.22Å; W315-Y317 PolarHBondContact O-N 2.83Å; Y317-T321 HydrophobicContact CD1-CG2 4.04Å; Y317-T321 HydrophobicContact CE1-CG2 4.44Å; Y317-T321 HydrophobicContact CG-CG2 4.11Å; Y317-T321 PolarHBondContact N-OG1 3.37Å; Y317-L325 HydrophobicContact CE1-CD1 4.26Å
318D95.4Very high94.8Very high47 Ų4733.3 Ų33.325%0.25116%0.163SC..SBendtrans-101.9-170.2172.560.9-3.5000111.2H81 K316 V320 T321 A322H81-D318 VanDerWaalsContact CD2-C 3.48Å; H81-D318 VanDerWaalsContact NE2-C 3.32Å; K316-D318 VanDerWaalsContact C-N 3.35Å; K316-D318 HydrophobicContact CB-CB 4.16Å; D318-V320 VanDerWaalsContact C-N 3.26Å; D318-V320 PolarHBondContact O-N 2.97Å; D318-V320 PolarHBondContact OD1-N 2.98Å; D318-T321 PolarHBondContact O-N 2.94Å; D318-T321 WeakPolarHBondContact OD1-CB 3.4Å; D318-T321 PolarHBondContact OD1-N 2.82Å; D318-T321 PolarHBondContact OD1-OG1 2.93Å; D318-A322 WeakPolarHBondContact O-CB 3.5Å; D318-A322 PolarHBondContact O-N 3Å
319Q95.3Very high94.7Very high62 Ų6234 Ų3429%0.2917%0.168SC..Hα-helixtrans-56-38.8176.8-173.1-163.5-0.800112.5Y17 H81 T323Y17-Q319 HydrophobicContact CD1-CB 4.42Å; Y17-Q319 VanDerWaalsContact CD1-CD 3.47Å; Y17-Q319 HydrophobicContact CD1-CG 3.69Å; Y17-Q319 HydrophobicContact CE1-CB 4.24Å; Y17-Q319 HydrophobicContact CE1-CG 3.78Å; Y17-Q319 HydrophobicContact CG-CG 4.35Å; H81-Q319 VanDerWaalsContact CE1-CA 3.49Å; H81-Q319 WeakPolarHBondContact CE1-CA 3.23Å; H81-Q319 PolarHBondContact CE1-N 3.23Å; H81-Q319 VanDerWaalsContact CE1-N 3.28Å; H81-Q319 PolarHBondContact NE2-N 3.01Å; Q319-T323 VanDerWaalsContact O-CB 3.29Å; Q319-T323 WeakPolarHBondContact O-CB 3.42Å; Q319-T323 PolarHBondContact O-N 3.32Å; Q319-T323 PolarHBondContact O-OG1 2.69Å
320V95.8Very high94.7Very high19 Ų1934.6 Ų34.612%0.11517%0.168CC..Hα-helixtrans-65.8-50.3-179.6-176.80000109.7M297 M301 L311 V312 D318 A322 T323 Y324M297-V320 HydrophobicContact CE-CG1 3.76Å; M297-V320 WeakPolarHBondContact CE-O 3.42Å; M301-V320 HydrophobicContact CE-CG2 3.83Å; M301-V320 HydrophobicContact SD-CG1 4.49Å; L311-V320 HydrophobicContact CB-CG1 4.13Å; V312-V320 HydrophobicContact CG2-CG1 3.9Å; D318-V320 VanDerWaalsContact C-N 3.26Å; D318-V320 PolarHBondContact O-N 2.97Å; D318-V320 PolarHBondContact OD1-N 2.98Å; V320-A322 VanDerWaalsContact C-N 3.34Å; V320-A322 PolarHBondContact O-N 3.05Å; V320-T323 PolarHBondContact O-N 2.94Å; V320-Y324 PolarHBondContact O-N 2.98Å
321T95.6Very high94.6Very high0 Ų033.2 Ų33.20%016%0.155CC..Hα-helixtrans-58.3-45.6176.5-50.30000111.6W315 K316 Y317 D318 Y324 L325W315-T321 HydrophobicContact CE3-CG2 3.73Å; W315-T321 HydrophobicContact CZ3-CG2 4.04Å; K316-T321 PolarHBondContact N-OG1 3.03Å; Y317-T321 HydrophobicContact CD1-CG2 4.04Å; Y317-T321 HydrophobicContact CE1-CG2 4.44Å; Y317-T321 HydrophobicContact CG-CG2 4.11Å; Y317-T321 PolarHBondContact N-OG1 3.37Å; D318-T321 PolarHBondContact O-N 2.94Å; D318-T321 WeakPolarHBondContact OD1-CB 3.4Å; D318-T321 PolarHBondContact OD1-N 2.82Å; D318-T321 PolarHBondContact OD1-OG1 2.93Å; T321-Y324 PolarHBondContact O-N 3.26Å; T321-L325 HydrophobicContact CG2-CD1 4.03Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 3.02Å
322A96.9Very high94.4Very high0 Ų036.1 Ų36.10%017%0.167CC..Hα-helixtrans-65.8-42.6-179.700000112.3Y80 H81 D318 V320 L326Y80-A322 WeakPolarHBondContact O-CA 3.39Å; Y80-A322 WeakPolarHBondContact O-CB 3.16Å; Y80-A322 PolarHBondContact O-N 2.86Å; H81-A322 HydrophobicContact CB-CB 3.81Å; D318-A322 WeakPolarHBondContact O-CB 3.5Å; D318-A322 PolarHBondContact O-N 3Å; V320-A322 VanDerWaalsContact C-N 3.34Å; V320-A322 PolarHBondContact O-N 3.05Å; A322-L326 VanDerWaalsContact O-CB 3.29Å; A322-L326 WeakPolarHBondContact O-CB 3.48Å; A322-L326 WeakPolarHBondContact O-CD1 3.42Å; A322-L326 VanDerWaalsContact O-CG 3.24Å; A322-L326 WeakPolarHBondContact O-CG 3.41Å; A322-L326 PolarHBondContact O-N 2.77Å
323T97.1Very high94.3Very high7 Ų741 Ų414%0.04319%0.189CC..Hα-helixtrans-62-46.2177.3-58.70000110.6H37 M297 Q319 V320 L327 L339H37-T323 PolarHBondContact CE1-OG1 2.93Å; M297-T323 HydrophobicContact CE-CG2 4.29Å; M297-T323 HydrophobicContact CG-CG2 4.09Å; M297-T323 HydrophobicContact SD-CG2 4.2Å; Q319-T323 VanDerWaalsContact O-CB 3.29Å; Q319-T323 WeakPolarHBondContact O-CB 3.42Å; Q319-T323 PolarHBondContact O-N 3.32Å; Q319-T323 PolarHBondContact O-OG1 2.69Å; V320-T323 PolarHBondContact O-N 2.94Å; T323-L327 WeakPolarHBondContact O-CB 3.39Å; T323-L327 PolarHBondContact O-N 3.41Å; T323-L339 HydrophobicContact CG2-CD1 4.03Å; T323-L339 HydrophobicContact CG2-CD2 3.78Å
324Y96.3Very high94.3Very high3 Ų338.3 Ų38.31%0.01220%0.198CC..Hα-helixtrans-59.8-53.7177.2177.7-99.2000112.2I289 D290 C293 I294 M297 V312 W315 V320 T321 L326 L327 L328I289-Y324 WeakPolarHBondContact CA-OH 3.5Å; I289-Y324 HydrophobicContact CG2-CE2 4.1Å; D290-Y324 HydrophobicContact CB-CE2 4.46Å; D290-Y324 PolarHBondContact N-OH 3.01Å; C293-Y324 HydrophobicContact CB-CD2 4.04Å; C293-Y324 HydrophobicContact CB-CE2 3.81Å; I294-Y324 HydrophobicContact CD1-CD2 3.99Å; I294-Y324 HydrophobicContact CD1-CE2 4.03Å; I294-Y324 HydrophobicContact CG1-CE2 4.34Å; M297-Y324 WeakPolarHBondContact SD-CA 3.35Å; M297-Y324 VanDerWaalsContact SD-CB 3.58Å; M297-Y324 HydrophobicContact SD-CD2 4.01Å; M297-Y324 HydrophobicContact SD-CG 4.31Å; V312-Y324 HydrophobicContact CG1-CD1 3.66Å; V312-Y324 HydrophobicContact CG1-CD2 3.95Å; V312-Y324 HydrophobicContact CG1-CE1 4.06Å; V312-Y324 HydrophobicContact CG1-CE2 4.32Å; V312-Y324 HydrophobicContact CG1-CG 3.61Å; V312-Y324 HydrophobicContact CG2-CD2 4.23Å; V312-Y324 HydrophobicContact CG2-CG 4.15Å; W315-Y324 AromaticContact CH2-CD1 3.94Å; W315-Y324 HydrophobicContact CH2-CD1 3.94Å; W315-Y324 AromaticContact CH2-CE1 3.82Å; W315-Y324 HydrophobicContact CH2-CE1 3.82Å; W315-Y324 HydrophobicContact CZ3-CD1 4.32Å; V320-Y324 PolarHBondContact O-N 2.98Å; T321-Y324 PolarHBondContact O-N 3.26Å; Y324-L326 VanDerWaalsContact C-N 3.33Å; Y324-L326 PolarHBondContact O-N 2.79Å; Y324-L327 PolarHBondContact O-N 3.07Å; Y324-L328 HydrophobicContact CE1-CD2 4.03Å; Y324-L328 WeakPolarHBondContact O-CB 3.38Å; Y324-L328 PolarHBondContact O-N 3.33Å
325L95Very high94.3Very high8 Ų838 Ų384%0.04220%0.195CC..Hα-helixtrans-64.4-36.5-176.6-71173.7000112.7Y80 W315 Y317 T321 S329Y80-L325 HydrophobicContact CD1-CB 3.62Å; Y80-L325 HydrophobicContact CD1-CD1 4.06Å; Y80-L325 HydrophobicContact CD1-CG 4.49Å; Y80-L325 HydrophobicContact CE1-CB 4Å; W315-L325 HydrophobicContact CH2-CD2 4.05Å; W315-L325 HydrophobicContact CZ3-CD1 4.12Å; W315-L325 HydrophobicContact CZ3-CD2 3.79Å; W315-L325 HydrophobicContact CZ3-CG 3.98Å; Y317-L325 HydrophobicContact CE1-CD1 4.26Å; T321-L325 HydrophobicContact CG2-CD1 4.03Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 3.02Å; L325-S329 WeakPolarHBondContact O-CB 3.41Å; L325-S329 PolarHBondContact O-N 2.94Å
326L96.3Very high94.3Very high2 Ų240.2 Ų40.21%0.0122%0.215CC..Hα-helixtrans-73.2-34176.2-70.3170.4000112.5H37 T40 E42 V44 Y80 A322 Y324 K330H37-L326 HydrophobicContact CB-CD1 3.55Å; T40-L326 HydrophobicContact CG2-CB 3.93Å; E42-L326 HydrophobicContact CB-CD2 4.34Å; V44-L326 HydrophobicContact CG1-CD1 4.04Å; V44-L326 HydrophobicContact CG1-CD2 3.76Å; Y80-L326 HydrophobicContact CD1-CD2 4.39Å; Y80-L326 HydrophobicContact CD1-CG 4.43Å; Y80-L326 HydrophobicContact CD2-CD2 3.69Å; Y80-L326 HydrophobicContact CD2-CG 4.21Å; Y80-L326 HydrophobicContact CE1-CD2 4.24Å; Y80-L326 HydrophobicContact CE2-CD2 3.47Å; Y80-L326 VanDerWaalsContact CE2-CD2 3.47Å; Y80-L326 HydrophobicContact CE2-CG 4.4Å; Y80-L326 HydrophobicContact CG-CD2 4.14Å; Y80-L326 HydrophobicContact CG-CG 4.21Å; A322-L326 VanDerWaalsContact O-CB 3.29Å; A322-L326 WeakPolarHBondContact O-CB 3.48Å; A322-L326 WeakPolarHBondContact O-CD1 3.42Å; A322-L326 VanDerWaalsContact O-CG 3.24Å; A322-L326 WeakPolarHBondContact O-CG 3.41Å; A322-L326 PolarHBondContact O-N 2.77Å; Y324-L326 VanDerWaalsContact C-N 3.33Å; Y324-L326 PolarHBondContact O-N 2.79Å; L326-K330 WeakPolarHBondContact O-CB 3.41Å; L326-K330 PolarHBondContact O-N 3.39Å
327L95.8Very high94.4Very high0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-71.3-38.5174.9-173.360.6000111.5T40 C293 E296 M297 T323 Y324 K330 K331 V337 L339T40-L327 HydrophobicContact CG2-CB 4.14Å; C293-L327 HydrophobicContact CB-CD2 4.11Å; C293-L327 HydrophobicContact CB-CG 4.31Å; E296-L327 HydrophobicContact CB-CD2 4.07Å; E296-L327 HydrophobicContact CG-CD2 4.1Å; M297-L327 HydrophobicContact CG-CD2 4.13Å; T323-L327 WeakPolarHBondContact O-CB 3.39Å; T323-L327 PolarHBondContact O-N 3.41Å; Y324-L327 PolarHBondContact O-N 3.07Å; L327-K330 HydrophobicContact CD1-CD 4.3Å; L327-K330 WeakPolarHBondContact O-CB 2.95Å; L327-K330 PolarHBondContact O-N 3.29Å; L327-K331 PolarHBondContact O-N 2.99Å; L327-V337 HydrophobicContact CD1-CG1 3.9Å; L327-V337 HydrophobicContact CD2-CG1 4.05Å; L327-V337 HydrophobicContact CG-CG1 3.87Å; L327-L339 HydrophobicContact CD1-CD2 4.24Å; L327-L339 HydrophobicContact CD2-CD2 4.22Å; L327-L339 HydrophobicContact CD2-CG 4.29Å
328L93.8Very high94.3Very high23 Ų2343.8 Ų43.812%0.1223%0.229CC..Hα-helixtrans-64.1-43.4171.9-17960.4000111.7D290 Y324 K330 K331 Q332D290-L328 HydrophobicContact CB-CD1 3.92Å; Y324-L328 HydrophobicContact CE1-CD2 4.03Å; Y324-L328 WeakPolarHBondContact O-CB 3.38Å; Y324-L328 PolarHBondContact O-N 3.33Å; L328-K330 VanDerWaalsContact C-N 3.29Å; L328-K330 PolarHBondContact O-N 3.15Å; L328-K331 WeakPolarHBondContact O-CB 2.98Å; L328-K331 PolarHBondContact O-N 3.38Å; L328-Q332 VanDerWaalsContact O-CG 3.31Å; L328-Q332 WeakPolarHBondContact O-CG 3.43Å; L328-Q332 PolarHBondContact O-N 2.79Å
329S91.9Very high94.3Very high15 Ų1542.2 Ų42.211%0.10522%0.221CC..Hα-helixtrans-61.9-37.4172.9-173.70000112L325 Q332 K333L325-S329 WeakPolarHBondContact O-CB 3.41Å; L325-S329 PolarHBondContact O-N 2.94Å; S329-Q332 PolarHBondContact O-N 2.9Å; S329-K333 VanDerWaalsContact O-CD 3.31Å; S329-K333 WeakPolarHBondContact O-CD 3.4Å; S329-K333 VanDerWaalsContact O-CG 3.28Å; S329-K333 WeakPolarHBondContact O-CG 3.36Å; S329-K333 PolarHBondContact O-N 3.32Å; S329-K333 WeakPolarHBondContact OG-CE 3.5Å; S329-K333 PolarHBondContact OG-NZ 3.33Å
330K93.3Very high94.1Very high25 Ų2543.9 Ų43.911%0.10923%0.225CC..Hα-helixtrans-63.1-46.1173.9-174.4176.3-177.6178.50111.2T40 E42 L326 L327 L328 Q332 K333 K335 P336 R338T40-K330 PolarHBondContact O-NZ 3.39Å; E42-K330 HydrophobicContact CG-CB 4.16Å; L326-K330 WeakPolarHBondContact O-CB 3.41Å; L326-K330 PolarHBondContact O-N 3.39Å; L327-K330 HydrophobicContact CD1-CD 4.3Å; L327-K330 WeakPolarHBondContact O-CB 2.95Å; L327-K330 PolarHBondContact O-N 3.29Å; L328-K330 VanDerWaalsContact C-N 3.29Å; L328-K330 PolarHBondContact O-N 3.15Å; K330-Q332 PolarHBondContact O-N 3.49Å; K330-K333 PolarHBondContact O-N 2.79Å; K330-K335 HydrophobicContact CG-CB 3.61Å; K330-K335 HydrophobicContact CG-CD 4Å; K330-K335 HydrophobicContact CG-CG 4.47Å; K330-K335 WeakPolarHBondContact O-CB 3.45Å; K330-K335 PolarHBondContact O-N 3.17Å; K330-K335 VanDerWaalsContact O-N 3.17Å; K330-P336 VanDerWaalsContact CE-O 3.23Å; K330-P336 WeakPolarHBondContact CE-O 3.39Å; K330-R338 PolarHBondContact NZ-O 3Å
331K93.7Very high93.2Very high59 Ų5948.7 Ų48.726%0.25726%0.256SS..Hα-helixtrans-57.3-48.2174.2-170179.5-170.5179.70112.2D290 D292 L327 L328 K333 G334 V337D290-K331 WeakPolarHBondContact OD1-CD 3.26Å; D290-K331 IonicContact OD1-NZ 2.65Å; D290-K331 PolarHBondContact OD1-NZ 2.96Å; D290-K331 WeakPolarHBondContact OD2-CD 3.27Å; D290-K331 IonicContact OD2-NZ 2.63Å; D290-K331 PolarHBondContact OD2-NZ 2.98Å; D292-K331 WeakPolarHBondContact OD2-CE 3.23Å; D292-K331 IonicContact OD2-NZ 2.73Å; D292-K331 PolarHBondContact OD2-NZ 3.48Å; L327-K331 PolarHBondContact O-N 2.99Å; L328-K331 WeakPolarHBondContact O-CB 2.98Å; L328-K331 PolarHBondContact O-N 3.38Å; K331-K333 PolarHBondContact O-N 3.07Å; K331-G334 PolarHBondContact O-N 2.87Å; K331-V337 HydrophobicContact CB-CG2 3.81Å; K331-V337 HydrophobicContact CD-CG2 3.85Å; K331-V337 HydrophobicContact CG-CG2 3.58Å
332Q90.4Very high91.7Very high107 Ų10755 Ų5550%0.529%0.286SS..Hα-helixtrans-62.4-27.7-179.7-72.1166.8-3.200113.2Q284 L328 S329 K330 G334Q284-Q332 VanDerWaalsContact NE2-NE2 3.11Å; L328-Q332 VanDerWaalsContact O-CG 3.31Å; L328-Q332 WeakPolarHBondContact O-CG 3.43Å; L328-Q332 PolarHBondContact O-N 2.79Å; S329-Q332 PolarHBondContact O-N 2.9Å; K330-Q332 PolarHBondContact O-N 3.49Å; Q332-G334 PolarHBondContact O-N 2.78Å
333K89.6Confident89.5Confident103 Ų10359.6 Ų59.645%0.44832%0.324SS..THydrogen-bonded Turntrans-82.212.7173.2-65.4160.4-176.1155.40113.5E42 S329 K330 K331 K335E42-K333 IonicContact OE2-NZ 3.69Å; E42-K333 PolarHBondContact OE2-NZ 3.25Å; S329-K333 VanDerWaalsContact O-CD 3.31Å; S329-K333 WeakPolarHBondContact O-CD 3.4Å; S329-K333 VanDerWaalsContact O-CG 3.28Å; S329-K333 WeakPolarHBondContact O-CG 3.36Å; S329-K333 PolarHBondContact O-N 3.32Å; S329-K333 WeakPolarHBondContact OG-CE 3.5Å; S329-K333 PolarHBondContact OG-NZ 3.33Å; K330-K333 PolarHBondContact O-N 2.79Å; K331-K333 PolarHBondContact O-N 3.07Å; K333-K335 HydrophobicContact CB-CD 4.28Å; K333-K335 HydrophobicContact CB-CG 4.28Å; K333-K335 PolarHBondContact O-N 3.05Å
334G92Very high86.7Confident74 Ų7470.3 Ų70.376%0.76336%0.364SS*.THydrogen-bonded Turntrans6811.4-177.500000115K331 Q332K331-G334 PolarHBondContact O-N 2.87Å; Q332-G334 PolarHBondContact O-N 2.78Å
335K93.6Very high84Confident85 Ų8578.3 Ų78.337%0.3741%0.405SS..  trans-85.9151.4179.8-61170.9179.4172.50110.3E42 K330 K333 V337E42-K335 VanDerWaalsContact CD-NZ 3.33Å; E42-K335 IonicContact OE1-NZ 3.23Å; E42-K335 PolarHBondContact OE1-NZ 3.13Å; E42-K335 IonicContact OE2-NZ 2.69Å; E42-K335 PolarHBondContact OE2-NZ 3.45Å; K330-K335 HydrophobicContact CG-CB 3.61Å; K330-K335 HydrophobicContact CG-CD 4Å; K330-K335 HydrophobicContact CG-CG 4.47Å; K330-K335 WeakPolarHBondContact O-CB 3.45Å; K330-K335 PolarHBondContact O-N 3.17Å; K330-K335 VanDerWaalsContact O-N 3.17Å; K333-K335 HydrophobicContact CB-CD 4.28Å; K333-K335 HydrophobicContact CB-CG 4.28Å; K333-K335 PolarHBondContact O-N 3.05Å; K335-V337 PolarHBondContact O-N 3.39Å
336P93.2Very high80.9Confident95 Ų9582.6 Ų82.662%0.61744%0.435SS*.  trans-58.7135.4-179.922.6-34000112.3K330 R338K330-P336 VanDerWaalsContact CE-O 3.23Å; K330-P336 WeakPolarHBondContact CE-O 3.39Å; P336-R338 PolarHBondContact O-N 3.08Å
337V95.2Very high78.2Confident29 Ų2991.2 Ų91.218%0.17648%0.475CS..  trans-74.669.2175.8-168.60000109.2D292 E296 L327 K331 K335D292-V337 HydrophobicContact CB-CG1 4.18Å; D292-V337 HydrophobicContact CB-CG2 4.49Å; E296-V337 HydrophobicContact CB-CG1 4.44Å; L327-V337 HydrophobicContact CD1-CG1 3.9Å; L327-V337 HydrophobicContact CD2-CG1 4.05Å; L327-V337 HydrophobicContact CG-CG1 3.87Å; K331-V337 HydrophobicContact CB-CG2 3.81Å; K331-V337 HydrophobicContact CD-CG2 3.85Å; K331-V337 HydrophobicContact CG-CG2 3.58Å; K335-V337 PolarHBondContact O-N 3.39Å
338R94.9Very high75.4Confident156 Ų15698.3 Ų98.359%0.58951%0.513SS*.  trans-129.9136178-68.4-61-173.3-163.8-0.7112.1E296 K330 P336E296-R338 VanDerWaalsContact OE1-CA 3.25Å; E296-R338 WeakPolarHBondContact OE1-CA 3.43Å; E296-R338 VanDerWaalsContact OE1-CD 3.3Å; E296-R338 WeakPolarHBondContact OE1-CD 3.4Å; E296-R338 WeakPolarHBondContact OE2-CD 3.33Å; E296-R338 IonicContact OE2-CZ 3.7Å; E296-R338 IonicContact OE2-NE 3.99Å; E296-R338 IonicContact OE2-NH1 2.69Å; E296-R338 PolarHBondContact OE2-NH1 3.23Å; K330-R338 PolarHBondContact NZ-O 3Å; P336-R338 PolarHBondContact O-N 3.08Å
339L94.6Very high72.2Confident15 Ų15101.7 Ų101.78%0.07954%0.539CS..PPolyproline II helixtrans-85.4158.4163.7-62.8175.7000109.1L39 T40 E296 M297 N300 T323 L327L39-L339 HydrophobicContact CB-CD2 4.14Å; L39-L339 CarbonylContact O-C 3.55Å; L39-L339 WeakPolarHBondContact O-CA 3.48Å; T40-L339 HydrophobicContact CG2-CD2 3.56Å; E296-L339 HydrophobicContact CG-CB 4.31Å; E296-L339 HydrophobicContact CG-CD1 4.24Å; E296-L339 HydrophobicContact CG-CG 3.87Å; E296-L339 PolarHBondContact OE1-N 2.79Å; M297-L339 HydrophobicContact CG-CD1 4.16Å; N300-L339 HydrophobicContact CB-CD1 3.68Å; T323-L339 HydrophobicContact CG2-CD1 4.03Å; T323-L339 HydrophobicContact CG2-CD2 3.78Å; L327-L339 HydrophobicContact CD1-CD2 4.24Å; L327-L339 HydrophobicContact CD2-CD2 4.22Å; L327-L339 HydrophobicContact CD2-CG 4.29Å
340R91.3Very high69.6Low96 Ų96107.4 Ų107.436%0.36258%0.575SS.*PPolyproline II helixtrans-85.7141174.7-70.8158.9159.6-144.9-11.9108.6L38 L39 E342L38-R340 WeakPolarHBondContact O-CD 3.26Å; L39-R340 WeakPolarHBondContact O-CB 3.42Å; L39-R340 WeakPolarHBondContact O-CG 3.29Å; L39-R340 PolarHBondContact O-N 2.85Å; R340-E342 PolarHBondContact O-N 2.84Å
341P77.4Confident66.8Low121 Ų121113.2 Ų113.279%0.78661%0.607SS**PPolyproline II helixtrans-51.7138166-22.833.1000109.8A343P341-A343 PolarHBondContact O-N 3.48Å
342E64.1Low64Low132 Ų132119.4 Ų119.462%0.61764%0.636SS**PPolyproline II helixtrans-56.7125.5168.6-68.8178.4143.200108.5L39 R340 R344L39-E342 HydrophobicContact CD2-CG 4.05Å; R340-E342 PolarHBondContact O-N 2.84Å; E342-R344 PolarHBondContact O-N 3.45Å
343A50.6Low61.3Low97 Ų97124.4 Ų124.480%0.80266%0.66SS**  trans-65.5100.5173.100000107.5P341 L345P341-A343 PolarHBondContact O-N 3.48Å; A343-L345 PolarHBondContact O-N 3.12Å
344R38.8Very low58.5Low232 Ų232121.9 Ų121.988%0.87566%0.663SS**  trans-58.9109.9176.3-65.2-175.5-174.1177.82.5108.2E342 C346E342-R344 PolarHBondContact O-N 3.45Å; R344-C346 VanDerWaalsContact C-N 3.31Å; R344-C346 PolarHBondContact O-N 3.11Å
345L38.9Very low55.6Low170 Ų170126.2 Ų126.289%0.8967%0.668SS**  trans-60.9103.2155.3-69.7174.6000105.5A343 E347A343-L345 PolarHBondContact O-N 3.12Å; L345-E347 PolarHBondContact O-N 3.07Å
346C30.1Very low52.6Low98 Ų98130.4 Ų130.466%0.66269%0.689SS**  trans-84.354.5-169.7-157.60000111.2R344 D348R344-C346 VanDerWaalsContact C-N 3.31Å; R344-C346 PolarHBondContact O-N 3.11Å; C346-D348 PolarHBondContact O-N 3.1Å
347E38.9Very low49.7Very low183 Ų183135.4 Ų135.486%0.85570%0.701SS**  trans-70.673.7158.6-67.8-166.5159.300108.4L345L345-E347 PolarHBondContact O-N 3.07Å
348D36.1Very low46.6Very low149 Ų149143.9 Ų143.980%0.79773%0.73SS**  trans177.996.4146.1-96.3-23.7000110C346C346-D348 PolarHBondContact O-N 3.1Å
349S27.8Very low43.4Very low94 Ų94144 Ų14466%0.65774%0.737SS**  trans-159.7107.1162.3-80.90000108.7L351S349-L351 PolarHBondContact O-N 3.1Å
350P36.9Very low40.3Very low135 Ų135148.2 Ų148.288%0.87777%0.774SS**  trans-81.355.8-167.633.8-37.5000113.1
351L35.2Very low37.2Very low148 Ų148150.6 Ų150.678%0.77579%0.793SS**  trans-141.268179.7-75177.9000112S349S349-L351 PolarHBondContact O-N 3.1Å
352H34.9Very low34.8Very low188 Ų188153.8 Ų153.887%0.8780%0.797SS**  trans-165.562.1147.8-110.469.5000111.7G354H352-G354 PolarHBondContact O-N 2.82Å
353Q33.2Very low33Very low213 Ų213156.3 Ų156.3100%0.99581%0.806SS**  trans-88.881.5169.2-13917819.700109.1
354G30.2Very low31.8Very low50 Ų50157 Ų15752%0.51581%0.805SS.*  trans-175122.5-177.700000113.6H352H352-G354 PolarHBondContact O-N 2.82Å
355L31.8Very low31.5Very low165 Ų165154.2 Ų154.286%0.86480%0.803SS**  trans5.5129.4163.1-68.473.1000117
356Q30.5Very low31Very low172 Ų172153.4 Ų153.480%0.80480%0.799SS**  cis-147.5164.348.9-74.1-175.910.400114.9
357K33.2Very low31.2Very low200 Ų200156.8 Ų156.887%0.8781%0.805SS**  trans-111.2116178.3174.2-171.2178.5-1740109.2
358R28.5Very low30.7Very low208 Ų208155.3 Ų155.379%0.78580%0.803SS**  trans-148.9102166.4-106.6176.2167.9155.2-0.4108.5
359E28.8Very low30.4Very low157 Ų157153 Ų15373%0.73480%0.804SS**  79.3105.391.4-76.9177.7155.200111.4
360A28.8Very low30.5Very low105 Ų105154.6 Ų154.687%0.86881%0.81SS**  trans-80.1125.2173.800000109.4
361L26.2Very low30Very low145 Ų145155.8 Ų155.876%0.75981%0.807SS**  trans-105.8119.1172.4-69.5174.4000109.8F363L361-F363 HydrophobicContact CB-CD2 4.37Å; L361-F363 HydrophobicContact CB-CE2 4.28Å; L361-F363 HydrophobicContact CD1-CE2 4.44Å
362H27.6Very low29.6Very low189 Ų189156.3 Ų156.388%0.87581%0.809SS**  trans-58.9143.1154.6-91.8-106.4000108.9
363F25.3Very low29.1Very low184 Ų184151 Ų15181%0.80781%0.805SS**  trans-130127.7154.5-95.3-86.9000109.5L361L361-F363 HydrophobicContact CB-CD2 4.37Å; L361-F363 HydrophobicContact CB-CE2 4.28Å; L361-F363 HydrophobicContact CD1-CE2 4.44Å
364S26.5Very low28.8Very low111 Ų111145.9 Ų145.978%0.77679%0.793SS**  trans-88.3-171.3165.452.10000109.8
365E31.6Very low28.7Very low175 Ų175151 Ų15182%0.81881%0.808SS**  trans-76.5174-174.9-67.8152.2131.300113.9
366D28.4Very low28.4Very low152 Ų152150.1 Ų150.181%0.81380%0.804SS**  trans83.3104.9166.1-56.9-17.2000121.6
367E34.8Very low28.2Very low169 Ų169151.6 Ų151.679%0.7981%0.808SS**  trans60.4139.1134.5-56-61.78200125.2
368D28.8Very low27.9Very low153 Ų153147.6 Ų147.682%0.81880%0.804SS**  trans43.498.4152.1-82.5-7.5000122.5
369A28.5Very low27.8Very low99 Ų99142.2 Ų142.282%0.81880%0.798SS**  trans-151.2134.6141.300000112
370V30Very low27.7Very low129 Ų129141.9 Ų141.978%0.78280%0.801SS**  trans-93.8125.9175.6176.40000110.7I372V370-I372 HydrophobicContact CG1-CG1 4.47Å
371I27.1Very low27.7Very low159 Ų159147 Ų14782%0.81580%0.8SS**  trans-128.7129.2166-61.9-67.5000109.1
372I27.1Very low27.8Very low160 Ų160147.3 Ų147.382%0.82180%0.8SS**  trans-96.9129.7175.7-62.8173.3000108.6V370V370-I372 HydrophobicContact CG1-CG1 4.47Å
373G25.3Very low27.9Very low75 Ų75145.2 Ų145.277%0.77380%0.796SS**  trans-155.8116.8173.500000110.6
374S27Very low28Very low106 Ų106142.9 Ų142.974%0.74179%0.792SS**  trans-92.2139.5-179.4-165.80000111.3
375L26.4Very low28Very low159 Ų159142.7 Ų142.783%0.83279%0.79SS**  trans-154.8131.3152.6-146.272.2000110.4
376D26.8Very low27.9Very low145 Ų145139.5 Ų139.578%0.77579%0.785SS**  trans-75.2156.4-176.1-62-80.2000113.3
377F25.4Very low27.9Very low204 Ų204143.8 Ų143.890%0.89579%0.789SS**  trans-125.9127.3167.8-101-91.7000110.3
378C26.2Very low27.4Very low116 Ų116140.9 Ų140.978%0.78478%0.783SS**  trans-66.2155.6177.8-74.30000112.4
379S27.6Very low27.1Very low95 Ų95138.4 Ų138.466%0.66478%0.778SS**  trans-118.278.3-176.7168.60000110.5Y381S379-Y381 PolarHBondContact O-N 2.72Å
380D27.1Very low26.8Very low150 Ų150139.4 Ų139.480%0.80277%0.774SS**  trans-81.4105175.7-65.9-40.2000111.2
381Y28.5Very low26.5Very low212 Ų212144 Ų14483%0.83178%0.777SS**  trans-76.8131.9159.4-89-109.3000108.8S379S379-Y381 PolarHBondContact O-N 2.72Å
382I28.3Very low26.4Very low151 Ų151145.7 Ų145.777%0.77478%0.781SS**  trans-116.4108.5161.7-60.6179.9000107.3
383D29.3Very low26.2Very low145 Ų145146.7 Ų146.778%0.77578%0.782SS**  trans-100.8141.5160.7-178.226.2000107.2
384D27Very low26.2Very low136 Ų136152.1 Ų152.173%0.72779%0.785SS**  trans-151.8114.4-176.3-132.4-27000110.9
385S26.2Very low26.1Very low106 Ų106152.7 Ų152.774%0.74178%0.784SS**  trans-144.7117.5174.5-78.50000108.7
386P30Very low26Very low108 Ų108154 Ų15470%0.70179%0.785SS**  trans-91.2135.7-16332.6-35.1000114.9
387W27.9Very low26Very low242 Ų242152.1 Ų152.192%0.91779%0.79SS**  trans73.3145.2146.2-71.646.8000116.9
388V24.6Very low25.9Very low108 Ų108145.6 Ų145.666%0.65578%0.781SS**  cis-151.6143.61.597.60000114.1
389S22.3Very low25.9Very low101 Ų101152.6 Ų152.671%0.70679%0.791SS**  trans39.9128.2147.3-64.60000125.3
390V23.3Very low26Very low121 Ų121151.6 Ų151.673%0.73380%0.795SS**  113.8112.5119.4150.60000120.9
391R22.3Very low26Very low225 Ų225154.7 Ų154.785%0.84980%0.796SS**  trans48.7122.2149.6-61175.1178.1176.9-1.4120.1
392Q26.4Very low26Very low194 Ų194151.1 Ų151.191%0.90779%0.787SS**  -160.9163.392.5-101.1177.916.600112.2
393H23.3Very low26Very low181 Ų181149.8 Ų149.884%0.83878%0.781SS**  trans-99.6144.5178.3-62.2-106000111.5
394K23.9Very low25.9Very low190 Ų190150.8 Ų150.883%0.82678%0.781SS**  163.5157.2108.5-93.3-176.4176178.30113
395T25.1Very low26Very low118 Ų118150.6 Ų150.672%0.72478%0.78SS**  trans37.4115.3153.752.40000118.9
396Q24Very low26.1Very low185 Ų185154.9 Ų154.986%0.86479%0.786SS**  cis70.7124.949.8-160.9-17621.800114.4
397A26.4Very low26Very low106 Ų106156.6 Ų156.688%0.87679%0.789SS**  trans67.4146179.800000116.9
398G25.2Very low26Very low68 Ų68153 Ų15370%0.70178%0.784SS**  cis159.4149.6-13.700000115.5
399R25.6Very low26.1Very low263 Ų263157.1 Ų157.199%0.99279%0.793SS**  trans69.8156.8172.9-64.8-178.4166.2-167.8-3.7117.7
400G28.5Very low26.3Very low74 Ų74159.8 Ų159.876%0.76380%0.799SS**  trans100.492-176.500000111.7
401R27.8Very low26.4Very low214 Ų214158.3 Ų158.381%0.80880%0.799SS**  cis85.495.232.4-166.9-169.1179.2-176.31.6114.3
402Q28.1Very low26.7Very low137 Ų137153.1 Ų153.164%0.6480%0.797SS**  trans63.5156.5153.2-60.1-173.9-9800116.6
403D27.9Very low27.4Very low124 Ų124149.2 Ų149.266%0.66379%0.789SS**  cis-159.2168.3-24.4-104.9-31.4000108.8
404E28.6Very low27.5Very low165 Ų165148.8 Ų148.877%0.77179%0.792SS**  trans56.2122.5156.9-69.7-166.7161.400123.3
405N27.6Very low27.9Very low133 Ų133144.2 Ų144.271%0.71179%0.79SS**  40.5118.7125.7-57.5-37.8000121.1
406K28.9Very low28Very low196 Ų196147.1 Ų147.185%0.85280%0.795SS**  -172.416790.3-115.5159.2-173.3167.20115.7
407D27.5Very low28.3Very low143 Ų143147 Ų14777%0.76579%0.791SS**  trans-62.1154.8174.2-46.3-106.2000113.9
408M27.6Very low28.3Very low167 Ų167152.5 Ų152.582%0.82379%0.789SS**  -168.4149.8106.5-103.8-178.569.900113.2L410M408-L410 HydrophobicContact CE-CD1 4.3Å
409K28Very low28.3Very low195 Ų195155.5 Ų155.585%0.84879%0.79SS**  trans-89.5141.4163.3-68.9176.3177.9174.80109.9
410L26.5Very low28.5Very low157 Ų157148.6 Ų148.682%0.82278%0.776SS**  trans-147.5112.3146.4-123.367.6000104.7M408M408-L410 HydrophobicContact CE-CD1 4.3Å
411A25.4Very low28.3Very low90 Ų90154.6 Ų154.674%0.74478%0.782SS**  94.4125.280.900000112.1
412S28.7Very low28.3Very low115 Ų115150 Ų15080%0.80478%0.777SS**  trans-72.2173176.3-39.80000111.7
413P40.4Very low29.2Very low112 Ų112148.8 Ų148.873%0.72778%0.781SS**  -154.7171.594.841-23.7000118.1
414L26.7Very low29.3Very low173 Ų173148.5 Ų148.591%0.90679%0.785SS**  trans74.6163150.4-77.3157.4000120.5
415A31.2Very low29.4Very low94 Ų94145.5 Ų145.578%0.77779%0.788SS**  trans-164.8155.8-158.100000113.9
416E28.2Very low29.3Very low179 Ų179142.2 Ų142.284%0.83679%0.786SS**  trans-145.8129.5165.7-89.8171.116800107.6
417K29.4Very low29.2Very low181 Ų181138.5 Ų138.579%0.78778%0.784SS**  81.1109.364.7-84.7-174.3178.2171.30115.4
418R26.3Very low29.1Very low222 Ų222137.8 Ų137.884%0.83879%0.785SS**  trans59.5152.2134.6-70.8-178.7172.4-174.80.3119.3
419D25.7Very low29.1Very low132 Ų132136.2 Ų136.271%0.70679%0.785SS**  cis-154.3-177.3-3.7-111.9-28.9000111.9
420V29Very low29.1Very low117 Ų117133 Ų13371%0.70978%0.782SS**  trans-66.7152.4-175.1174.60000115.9
421F25.7Very low30Very low201 Ų201130.1 Ų130.188%0.88277%0.772SS**  trans-164.6146.8142.3-107.7-67.7000116.5
422T27.6Very low30.4Very low116 Ų116134 Ų13471%0.71278%0.775SS**  trans-157.4-179.3169.744.80000108
423P47.1Very low30.5Very low112 Ų112134.5 Ų134.573%0.72776%0.764SS**  cis-116.6-133.7-3.425.50.7000112.3
424T29.1Very low29.8Very low119 Ų119138.1 Ų138.173%0.7376%0.764SS**  cis-166.4154.610.2-19.90000113.7
425A30.1Very low30.1Very low101 Ų101134.7 Ų134.784%0.83574%0.743SS**  trans59.7150.2150.800000122.1
426G25.9Very low30Very low65 Ų65138.8 Ų138.867%0.6774%0.738SS**  cis170.2179.7-6.700000115.2
427S28.2Very low30.1Very low118 Ų118138.2 Ų138.283%0.82573%0.733SS**  trans75.5151.3167-600000118.5
428T25.5Very low30.3Very low128 Ų128134 Ų13479%0.78572%0.716SS**  cis-161163.19.1-7.30000115.3
429V27.5Very low30.5Very low134 Ų134134.2 Ų134.281%0.81272%0.717SS**  trans81.8145.5153171.90000121.2
430T26.1Very low30.8Very low127 Ų127134.3 Ų134.378%0.77972%0.718SS**  trans-125-136.7-175.463.30000110.5
431P46.3Very low30.8Very low96 Ų96137.8 Ų137.862%0.62373%0.726SS**  cis-138.4166.5444.9-26.5000118.9
432Q33.4Very low31.1Very low172 Ų172135.5 Ų135.580%0.80472%0.718SS**  trans67151.6147.1-71.3165.76.800120.8
433H30.8Very low31.2Very low125 Ų125136.2 Ų136.258%0.57972%0.717SS**  cis-150.4-175.519.8-145.418.8000109.6
434R27Very low30.5Very low189 Ų189138.3 Ų138.371%0.71372%0.715SS**  cis-151.3170.75.8-170.1158-164.6139.215.4112.5
435E31.1Very low30.6Very low101 Ų101139 Ų13947%0.47271%0.71SS.*  trans-48.9167.4170-55.9174.59400118
436R30.7Very low30.6Very low179 Ų179140.1 Ų140.168%0.67570%0.702SS**  cis-160.1-1646.2-127.1173.2152.698.77.6109.4E438R436-E438 IonicContact CZ-OE1 3.23Å; R436-E438 VanDerWaalsContact CZ-OE1 3.23Å; R436-E438 IonicContact NE-OE1 2.74Å; R436-E438 PolarHBondContact NE-OE1 2.81Å; R436-E438 IonicContact NH2-OE1 2.8Å; R436-E438 PolarHBondContact NH2-OE1 3.16Å
437K29.8Very low30.8Very low167 Ų167144.1 Ų144.173%0.72671%0.707SS**  cis-153.1172.212.1-152.3161.3174173.50114.3
438E33.7Very low30.9Very low93 Ų93143.2 Ų143.244%0.43571%0.706SS.*  trans-62.2169.7175.1-44.7109.1-138.600115.6R436R436-E438 IonicContact CZ-OE1 3.23Å; R436-E438 VanDerWaalsContact CZ-OE1 3.23Å; R436-E438 IonicContact NE-OE1 2.74Å; R436-E438 PolarHBondContact NE-OE1 2.81Å; R436-E438 IonicContact NH2-OE1 2.8Å; R436-E438 PolarHBondContact NH2-OE1 3.16Å
439R30.2Very low31.1Very low226 Ų226144.5 Ų144.585%0.85371%0.708SS**  cis-143.2142.522.3-77174.3-77.9-147.6-2110.3
440D32.4Very low31.2Very low135 Ų135145.6 Ų145.672%0.72270%0.704SS**  cis87.411749.9-62-43.1000115.4
441Q29.1Very low31.4Very low190 Ų190148 Ų14889%0.88870%0.704SS**  -164.6160.3124.4-147.4143.222.800113.2
442E31.1Very low30.6Very low152 Ų152147 Ų14771%0.7171%0.711SS**  trans-91.5171.4-167.4-60158111.500113.1
443N30.4Very low30.4Very low131 Ų131145.1 Ų145.170%0.70171%0.711SS**  cis-149.2155.339.4-79.6-77.6000110.2
444K32.4Very low30.4Very low157 Ų157146 Ų14668%0.68372%0.72SS**  52.3133.466.6-70.2179.5160.6-123.70113.2
445E31.4Very low30.5Very low132 Ų132142.5 Ų142.562%0.61772%0.719SS**  cis-154-1780.1-119.8163.1-12500106.7
446N30.2Very low30.3Very low126 Ų126147.3 Ų147.367%0.67474%0.739SS**  cis-152.6-151.920.2-142.9-50.7000112.5
447I30.1Very low30.2Very low149 Ų149143 Ų14376%0.76474%0.741SS**  trans-106150-166.3-69.2156.6000113.7
448A29.1Very low30.4Very low98 Ų98143.2 Ų143.281%0.8175%0.75SS**  trans174.7135.9131.500000114.3
449D29.8Very low30.5Very low156 Ų156144.4 Ų144.483%0.83477%0.765SS**  trans-96156.9168.2-69.6-79.9000112.2
450E30.3Very low30.8Very low156 Ų156138.9 Ų138.973%0.72976%0.759SS**  173.1178.7116.9-94.3-81.978.800112.4
451K31.1Very low30.8Very low179 Ų179138.7 Ų138.778%0.77877%0.765SS**  trans-102.1156.4-158.7-50.8169.3-167.777.90113.9
452G27.4Very low30.9Very low75 Ų75141.3 Ų141.377%0.77377%0.767SS**  trans-164151.5168.800000111.5
453V30.5Very low31Very low132 Ų132140.7 Ų140.780%0.877%0.774SS**  trans-138.6155.6-166.8-1790000111.9
454D29.8Very low31.1Very low143 Ų143140.8 Ų140.877%0.76578%0.781SS**  trans90.7122.9158.2-90.3-5.9000123.3
455V29.2Very low30.9Very low115 Ų115137.9 Ų137.970%0.69779%0.787SS**  84.6110.5126.6171.60000122.3
456F26.5Very low30.8Very low203 Ų203137 Ų13789%0.8980%0.795SS**  trans80.8155.9142.4-107.8-111.3000124.7
457A30.5Very low30.6Very low87 Ų87135.5 Ų135.572%0.71980%0.795SS**  trans77.4121.7158.800000120.6
458L32.8Very low30.6Very low173 Ų173137.6 Ų137.691%0.90680%0.798SS**PPolyproline II helixtrans-89138166-71.5167.5000111.3
459P36.7Very low30.6Very low117 Ų117141.2 Ų141.276%0.7680%0.796SS**PPolyproline II helixtrans-89.5152.2165.7-7.926.6000113
460P35.1Very low30.5Very low110 Ų110140.7 Ų140.771%0.71479%0.793SS**PPolyproline II helixtrans-90.3163.2177.117.2-1.9000114.1
461P34.3Very low30.4Very low132 Ų132144.6 Ų144.686%0.85780%0.801SS**PPolyproline II helixtrans-71.1151.3-179.130.1-36.2000113.1
462R30.9Very low31Very low244 Ų244141.1 Ų141.192%0.92180%0.797SS**  trans-118.4122.8175.8-68.5-175.9176.4-174.3-0.7111.9
463T33.1Very low31.1Very low140 Ų140144.3 Ų144.386%0.85980%0.796SS**  trans-91.3145.4164.134.50000111
464P31.8Very low31.1Very low132 Ų132146.3 Ų146.386%0.85779%0.794SS**  trans-90129.4165.9-4.523.6000111.8
465A28.5Very low31Very low97 Ų97146.2 Ų146.280%0.80279%0.793SS**  trans-114.1163158.500000106.4
466S29.4Very low31Very low112 Ų112146.9 Ų146.978%0.78380%0.797SS**  cis-169.4170.5-5.652.90000107.4
467S26Very low30.9Very low96 Ų96144 Ų14467%0.67179%0.791SS**  trans-168.5122.8141.857.50000114.9
468K29.5Very low30.7Very low193 Ų193146.7 Ų146.784%0.83979%0.793SS**  trans57.4142.8131.1-61.3167.3-174.7168.10118.3
469K29.8Very low30.6Very low174 Ų174144.6 Ų144.676%0.75779%0.787SS**  cis-162.3167.17.3-128.6-178.2178.1-175.40111.1
470N28Very low30.8Very low145 Ų145144.1 Ų144.178%0.77578%0.784SS**  trans67.1117.9156.5-65.614.1000121.4
471R28.4Very low30.4Very low238 Ų238145.4 Ų145.490%0.89879%0.785SS**  trans-86.5175.8148.6-103.7179.2-177.3-177.21.3108.5
472P43.6Very low30Very low106 Ų106146 Ų14669%0.68878%0.777SS**  cis-154.7169.238.444.6-23.2000121.5
473N28.3Very low29.9Very low141 Ų141140.9 Ų140.975%0.75477%0.768SS**  trans79.6136.3138.9-77.9-4.1000125.1
474K30.9Very low29.6Very low174 Ų174139.7 Ų139.776%0.75776%0.76SS**  trans82.5101.1145.1-78.8-177176.4-175.50122
475N28.4Very low29.4Very low141 Ų141140.1 Ų140.175%0.75476%0.755SS**  75.2136.2112.9-71.526000123.3
476V28.6Very low29.3Very low129 Ų129140 Ų14078%0.78275%0.748SS**  trans78.1103147.1173.60000118.9
477L25.3Very low29.3Very low144 Ų144142.4 Ų142.475%0.75475%0.752SS**  49.4147117.5-136.577.3000122.2
478N26.5Very low29.4Very low143 Ų143141 Ų14177%0.76575%0.752SS**  trans84.5125.2161.2-66-16.8000120.3
479T30Very low29.5Very low128 Ų128138.1 Ų138.179%0.78575%0.751SS**  trans-63.8171152.7520000111.4
480P40.8Very low29.6Very low108 Ų108139.1 Ų139.170%0.70176%0.755SS**  cis-149.3-178.923.842.9-21.8000119
481N26.1Very low29.7Very low136 Ų136137.4 Ų137.473%0.72776%0.761SS**  trans69.5136.2139.7-91.9-2.7000125.4
482Q26.9Very low29.7Very low145 Ų145129.4 Ų129.468%0.67875%0.752SS**  trans86.2119.2136.5-76.6178.832.600123.5
483N27.4Very low29.1Very low137 Ų137132.1 Ų132.173%0.73377%0.767SS**  trans68.7161.5142.5-50.8-20.5000117.3
484T27Very low29.1Very low114 Ų114129 Ų12970%0.69977%0.768SS**  cis-143.1-178.618.550.10000113.6
485N27.7Very low29Very low142 Ų142127 Ų12776%0.75977%0.771SS**  trans80.6142.9158.9-64.2-2.9000119.1
486C26.1Very low29.9Very low95 Ų95125.1 Ų125.164%0.64277%0.766SS**  cis-164.7165-17-115.90000112.7
487N29.1Very low29.9Very low162 Ų162128.8 Ų128.887%0.86677%0.771SS**  trans69141.1165.5-52.7-22.1000118.2
488G28.8Very low29.9Very low66 Ų66125 Ų12568%0.6877%0.767SS**  cis175.8162-9.700000116.2
489T31Very low29.8Very low132 Ų132123.4 Ų123.481%0.8177%0.766SS**  trans69.9114.515943.80000124.4
490K32Very low29.5Very low196 Ų196124.6 Ų124.685%0.85276%0.763SS**  trans82.8111.5130.9-70.3-177.2175.7-178.10123.4
491A30.7Very low28.9Very low109 Ų109127 Ų12790%0.90177%0.768SS**  trans57.8142.7132.100000122.1
492G29.1Very low28.9Very low69 Ų69125.4 Ų125.471%0.71177%0.767SS**  cis164.6164-8.600000114.9
493V31.3Very low29Very low163 Ų163122.9 Ų122.999%0.98877%0.766SS**  trans69.8134.1169.9-170.90000117.2
494G27.8Very low29.1Very low75 Ų75124 Ų12477%0.77376%0.764SS**  trans156.547.1170.400000120
495T27.5Very low29.2Very low134 Ų134124.8 Ų124.882%0.82276%0.76SS**  trans-104.9175.3174.725.10000111.9
496P48.9Very low29.3Very low100 Ų100124.9 Ų124.965%0.64976%0.755SS**  cis-139.9-162.1-21.532.2-8.5000114.1
497K28.2Very low29.4Very low206 Ų206127.6 Ų127.690%0.89676%0.764SS**  trans77.4149.1159.7-63.3170.3-179.5-177.50117.4
498G25.5Very low29.4Very low64 Ų64128.3 Ų128.366%0.6676%0.759SS**  cis179.7-176.8-5.200000113
499C23.5Very low29.4Very low111 Ų111131.7 Ų131.775%0.7576%0.762SS**  trans37.3145.9146-58.70000121.6
500E24.6Very low29.3Very low153 Ų153136.7 Ų136.772%0.71577%0.766SS**  cis-162.6153.93.4-114.3159.7-141.300109.2
501I26.9Very low29.1Very low158 Ų158132 Ų13281%0.8176%0.763SS**  44.9126.797.9-55.4-177.4000112.9
502S27.1Very low29.1Very low103 Ų103130.9 Ų130.972%0.7275%0.749SS**  cis-152.1-179.518.392.10000109.3
503S29.1Very low29.1Very low92 Ų92134.9 Ų134.964%0.64375%0.749SS**  cis-164.8-150.5-13.544.80000106.5
504K28.6Very low28.9Very low161 Ų161134.4 Ų134.470%0.774%0.741SS**  cis-161.6163.37-141.8165.4-172.3-91.50111.1
505E29.1Very low28.9Very low129 Ų129138.9 Ų138.960%0.60375%0.747SS**  trans3.2154.9150.7-64.5-178.6121.700122.1
506Q29.8Very low29Very low144 Ų144137.4 Ų137.467%0.67374%0.742SS**  cis-166141.31.1-120.1178.144.100109.7
507N28.7Very low28Very low153 Ų153137.5 Ų137.582%0.81875%0.752SS**  -178.6165.7113.5-120.8-47.9000114.6
508K29.4Very low27.9Very low176 Ų176135 Ų13577%0.76575%0.748SS**  trans-103.4149.3-177.8-61.2174.4177.3174.40112.5
509N29Very low28Very low137 Ų137140.2 Ų140.273%0.73376%0.76SS**  178.4144.498.2-98.8-46.5000116.6
510R28.6Very low28Very low238 Ų238143.2 Ų143.290%0.89876%0.763SS**  trans67.5130.4155.6-67.9179.1178.1-177.5-2120
511A27.8Very low28.2Very low96 Ų96142.9 Ų142.979%0.79377%0.771SS**  trans-96177.3163.400000108.5
512S30Very low28.1Very low87 Ų87142.4 Ų142.461%0.60877%0.769SS**  cis-153.7-161.2-3.950.20000107.8
513E29.1Very low27.9Very low153 Ų153142.1 Ų142.172%0.71577%0.773SS**  cis-160.1172.912.8-155.367.1-90.600109.6
514N28.6Very low27.7Very low152 Ų152147 Ų14781%0.81378%0.783SS**  trans59.298.5162.2-70.9-14.8000118.8
515D27.7Very low27.7Very low170 Ų170144.8 Ų144.891%0.90979%0.788SS**  trans-139149.3142.3-151.4-15.3000109.4
516S28.5Very low27.8Very low103 Ų103144.8 Ų144.872%0.7280%0.799SS**  trans-115.8117.7-157.366.50000116.2
517A27.9Very low27.7Very low102 Ų102146.6 Ų146.684%0.84381%0.808SS**  trans53.196.7151.800000118.9
518N26Very low27.7Very low153 Ų153151 Ų15182%0.81881%0.813SS**  trans-64153.9152.8-77.8-41.5000111.6
519L27.4Very low27.7Very low173 Ų173153.6 Ų153.691%0.90682%0.818SS**  trans-140.9116.5144.6-153.577.2000110.1
520E25.3Very low27.5Very low174 Ų174152.8 Ų152.881%0.81382%0.823SS**  trans-79.2151.2-178.3-61.3176.9115.500111.8
521V27.2Very low27.4Very low146 Ų146152.8 Ų152.889%0.88582%0.823SS**  trans-116.2125.1167.4177.30000109
522L25.4Very low27.3Very low148 Ų148153.9 Ų153.978%0.77583%0.825SS**  trans-66.6137.7-169.6-68.1163000113.2
523A23.6Very low27.1Very low97 Ų97156.9 Ų156.980%0.80283%0.833SS**  trans-78.6141.317300000112
524F25.2Very low27Very low194 Ų194157.8 Ų157.885%0.85184%0.843SS**  trans-119114.8172.6-82.2-86.1000111.2
525S27.1Very low27Very low116 Ų116159 Ų15981%0.81185%0.846SS**  trans-91.4140.3169.6-60.10000111.3
526P31.4Very low27Very low128 Ų128155.7 Ų155.783%0.83184%0.842SS**  trans-121.1102.3164.134.6-21.4000112.4
527E27.3Very low27Very low183 Ų183155 Ų15586%0.85584%0.842SS**  trans-115114163.6-70.9-168.2145.800110.5
528R29Very low26.9Very low245 Ų245156.3 Ų156.393%0.92585%0.846SS**  trans-166.7111153.6-111.5166.1-145-135.94.6113.6
529R29.1Very low26.9Very low230 Ų230152.9 Ų152.987%0.86885%0.846SS**  trans30.7110.4149.1-67.3-179.9173.7162.5-1118.9
530S26.2Very low26.8Very low121 Ų121152 Ų15285%0.84684%0.843SS**  trans-78158137.853.20000110.8
531R25.8Very low27Very low238 Ų238149 Ų14990%0.89884%0.841SS**  trans-135.4118.9165.6-98.7-173.8171.3178-3.4108.6
532S25.6Very low27Very low119 Ų119145.5 Ų145.583%0.83283%0.834SS**  trans-145.9151.1147-167.90000107.1
533L26Very low27.2Very low150 Ų150148.2 Ų148.279%0.78584%0.84SS**  trans-86148.3175.8-65.689.7000110
534D27.3Very low27.5Very low171 Ų171153.5 Ų153.591%0.91484%0.844SS**  -156154.4122-98.1-33.2000109
535M27.8Very low27.6Very low179 Ų179154.4 Ų154.488%0.88285%0.848SS**  trans-128.5127.8-176.7-83.2-155.47200112.7
536A28.3Very low27.8Very low99 Ų99160.3 Ų160.382%0.81885%0.853SS**  trans-163.8118141.600000112.7
537A27.6Very low27.7Very low88 Ų88158 Ų15873%0.72785%0.852SS**  trans38.5101.3148.900000122.1
538S26.2Very low27.9Very low131 Ų131152.2 Ų152.292%0.91684%0.841SS**  61.9122.2117.6-53.30000122.3
539G27Very low28.3Very low81 Ų81150 Ų15084%0.83584%0.838SS**  trans172.364.5166.400000113.6
540D24.7Very low28.7Very low154 Ų154146.9 Ų146.982%0.82484%0.836SS**  trans-80.3134.7-176.4-177.628.6000113.6G542D540-G542 PolarHBondContact OD1-N 3.06Å
541S29.1Very low29.2Very low112 Ų112144.3 Ų144.378%0.78381%0.809SS**  trans-159.3100.214951.90000110.5
542G27Very low29.5Very low71 Ų71135.9 Ų135.973%0.73280%0.796SS**  trans-69131-174.200000115.5D540D540-G542 PolarHBondContact OD1-N 3.06Å
543K29.9Very low29.8Very low206 Ų206135 Ų13590%0.89679%0.79SS**  trans-131.6139.6157.1-73.9-174.4179.41730110.9K545K543-K545 PolarHBondContact O-N 3.46Å
544K29.2Very low30.3Very low208 Ų208131.4 Ų131.490%0.90477%0.771SS**  trans-60120.7-173-64.1176.8178.8178.60111.4R546K544-R546 PolarHBondContact O-N 2.9Å
545K27.8Very low30.9Very low213 Ų213129 Ų12993%0.92675%0.754SS**  trans-62.8115.1167.9-78.2-174.8175.4179.70109.5K543K543-K545 PolarHBondContact O-N 3.46Å
546R31.3Very low31.5Very low240 Ų240130 Ų13091%0.90675%0.749SS**PPolyproline II helixtrans-72.4144.4162.1-76.1-179.8166.6175.7-5108.8K544 G548K544-R546 PolarHBondContact O-N 2.9Å; R546-G548 PolarHBondContact O-N 3.08Å
547G29.7Very low32Very low79 Ų79126.3 Ų126.381%0.81472%0.72SS**PPolyproline II helixtrans-59.2132.3174.900000111.3K549G547-K549 PolarHBondContact O-N 2.82Å
548G32.2Very low32.6Very low61 Ų61125.3 Ų125.363%0.62970%0.702SS**PPolyproline II helixtrans-79.5118.6-171.600000113.3R546 M550R546-G548 PolarHBondContact O-N 3.08Å; G548-M550 PolarHBondContact O-N 3.24Å
549K36.6Very low32.9Very low200 Ų200121.3 Ų121.387%0.8767%0.67SS**  trans-74.967.6159.8-72.5-169.3173.6-170.60109.7G547 F551G547-K549 PolarHBondContact O-N 2.82Å; K549-F551 PolarHBondContact O-N 2.99Å
550M37.3Very low33.7Very low164 Ų164120.7 Ų120.781%0.80864%0.644SS**  trans-78.751.9-170.7-54.5-153.7-48.200113.9G548G548-M550 PolarHBondContact O-N 3.24Å
551F37.6Very low33.8Very low67 Ų67115.8 Ų115.829%0.29462%0.62SS.*SBendtrans-151.3-45.8170.8-121-82.8000111.7P179 I187 Y225 K549 S553 L554P179-F551 HydrophobicContact CB-CE1 4.37Å; P179-F551 HydrophobicContact CG-CE1 4.11Å; I187-F551 HydrophobicContact CD1-CZ 4.06Å; Y225-F551 HydrophobicContact CE1-CZ 4.43Å; Y225-F551 VanDerWaalsContact OH-CD1 3.25Å; Y225-F551 WeakPolarHBondContact OH-CD1 3.44Å; Y225-F551 WeakPolarHBondContact OH-CE1 3.39Å; Y225-F551 VanDerWaalsContact OH-CZ 3.31Å; Y225-F551 WeakPolarHBondContact OH-CZ 3.22Å; K549-F551 PolarHBondContact O-N 2.99Å; F551-S553 PolarHBondContact O-N 2.97Å; F551-L554 PolarHBondContact O-N 3.36Å; F551-L554 VanDerWaalsContact O-N 3.09Å
552G31.6Very low33.7Very low61 Ų61111.9 Ų111.963%0.62959%0.59SS**THydrogen-bonded Turntrans-69.828.1-175.500000117.3
553S31.4Very low33.8Very low99 Ų99112.1 Ų112.169%0.69258%0.577SS**THydrogen-bonded Turntrans-133.93.3169.2-162.90000113.2F551F551-S553 PolarHBondContact O-N 2.97Å
554L37.2Very low33.7Very low76 Ų76106.6 Ų106.640%0.39856%0.556SS.*SBendtrans-90.6-18.6-173.3-15368.7000113.7F551F551-L554 PolarHBondContact O-N 3.36Å; F551-L554 VanDerWaalsContact O-N 3.09Å
555E38.9Very low33.6Very low119 Ų119102.4 Ų102.456%0.55654%0.543SS*.SBendtrans-102.1-3.9-164.2-68.1166.915500115P179 G557P179-E555 WeakPolarHBondContact CG-OE1 3.4Å; E555-G557 PolarHBondContact O-N 3.43Å; E555-G557 VanDerWaalsContact O-N 3.13Å
556R40Very low33.6Very low202 Ų20296.1 Ų96.176%0.76252%0.522SS*.SBendtrans-78.310.3179.1-62.6-169.5-172.3134.33.5114.6G28G28-R556 VanDerWaalsContact CA-O 3.29Å; G28-R556 WeakPolarHBondContact CA-O 3.25Å
557G40.6Very low33.5Very low21 Ų2189.8 Ų89.822%0.21651%0.512CS..SBendtrans-101.6-37.8-168.600000116.2G27 G28 E555G27-G557 CarbonylContact C-O 3.49Å; G27-G557 VanDerWaalsContact CA-O 3.27Å; G27-G557 WeakPolarHBondContact CA-O 3.45Å; G28-G557 PolarHBondContact N-O 3.07Å; E555-G557 PolarHBondContact O-N 3.43Å; E555-G557 VanDerWaalsContact O-N 3.13Å
558L39.4Very low33.3Very low66 Ų6691.6 Ų91.635%0.34651%0.512SS..  trans-117.283.8-154.5-68.4169.9000112.1
559D32.4Very low33.4Very low47 Ų4796.9 Ų96.925%0.25152%0.518SS..  trans-145.4137.7-174.7-128.4-20.2000111.2S26 K655 G656 D657S26-D559 CarbonylContact C-O 3.55Å; D559-K655 WeakPolarHBondContact OD2-CE 3.39Å; D559-K655 IonicContact OD2-NZ 3.81Å; D559-G656 WeakPolarHBondContact OD1-CA 3.31Å; D559-G656 PolarHBondContact OD1-N 3.05Å; D559-D657 PolarHBondContact OD1-N 3.39Å
560K44Very low33.3Very low68 Ų6899.4 Ų99.430%0.29652%0.522SS..  trans54.1121.5170.540.7175169.6-172.70122G25 S26 I562 L654 K655G25-K560 CarbonylContact C-O 3.48Å; G25-K560 WeakPolarHBondContact CA-O 3.47Å; S26-K560 PolarHBondContact N-O 2.82Å; K560-I562 HydrophobicContact CB-CG1 4.35Å; K560-L654 WeakPolarHBondContact CD-O 3.43Å; K560-K655 HydrophobicContact CD-CB 3.75Å; K560-K655 HydrophobicContact CD-CG 3.83Å; K560-K655 HydrophobicContact CG-CB 4.43Å; K560-K655 HydrophobicContact CG-CG 4.21Å
561V26.4Very low33.5Very low52 Ų5298.8 Ų98.832%0.31551%0.511SS..  trans-112.872.8153.6-175.90000111.9I24 E100I24-V561 CarbonylContact O-C 3.35Å; I24-V561 WeakPolarHBondContact O-CA 3.15Å; I24-V561 WeakPolarHBondContact O-CG1 3.44Å; E100-V561 HydrophobicContact CG-CB 4.14Å; E100-V561 HydrophobicContact CG-CG2 4.07Å; E100-V561 VanDerWaalsContact OE1-CB 3.32Å; E100-V561 WeakPolarHBondContact OE1-CB 3.45Å; E100-V561 WeakPolarHBondContact OE1-CG2 3.25Å; E100-V561 PolarHBondContact OE1-N 3.08Å; E100-V561 VanDerWaalsContact OE1-N 3.08Å
562I27.7Very low33.4Very low30 Ų3099.7 Ų99.715%0.15453%0.53CS..  trans-137.4101.3-169.9-43.6-175000116.6I24 K560 R653 L654I24-I562 PolarHBondContact O-N 3.28Å; K560-I562 HydrophobicContact CB-CG1 4.35Å; I562-R653 HydrophobicContact CD1-CB 3.53Å; I562-R653 HydrophobicContact CD1-CG 3.66Å; I562-R653 VanDerWaalsContact CD1-O 3.31Å; I562-R653 WeakPolarHBondContact CD1-O 3.31Å; I562-R653 WeakPolarHBondContact CG2-O 3.32Å; I562-L654 HydrophobicContact CG2-CD2 3.82Å
563T28Very low33.9Very low75 Ų75103.7 Ų103.746%0.4654%0.537SS..  -171.9-178.9116.724.20000109.8L654T563-L654 HydrophobicContact CG2-CD2 4.26Å
564M28.5Very low34.9Very low91 Ų91107.4 Ų107.445%0.44854%0.536SS..  trans91.154.5170.4-56.6-60.6-170.300120.4E22E22-M564 HydrophobicContact CB-CE 3.67Å; E22-M564 HydrophobicContact CG-CE 3.62Å; E22-M564 HydrophobicContact CG-CG 3.6Å; E22-M564 HydrophobicContact CG-SD 4.5Å
565L27.5Very low36Very low120 Ų120110.1 Ų110.163%0.62855%0.551SS**SBendtrans-115.250.5151.9-75.7-179.6000113.5
566T28.2Very low37.6Very low80 Ų80108.8 Ų108.849%0.49155%0.551SS.*SBendtrans-174.9143139.715.90000110.6S568T566-S568 PolarHBondContact O-N 3.42Å
567P27.6Very low39.6Very low107 Ų107100 Ų10070%0.69552%0.52SS*.  trans-70.6130.7177.127.9-33.9000111.8K569P567-K569 PolarHBondContact O-N 3.21Å
568S27.5Very low41.6Very low117 Ų117103.5 Ų103.582%0.81853%0.527SS*.  trans-76.987.9176.1-170.90000111.3T566T566-S568 PolarHBondContact O-N 3.42Å
569K32.4Very low43.5Very low172 Ų172105.8 Ų105.875%0.74853%0.534SS*.  trans-67.9135.6145.7-75.5-164.4173.9-1690107P567 R571P567-K569 PolarHBondContact O-N 3.21Å; K569-R571 WeakPolarHBondContact O-CG 3.22Å; K569-R571 PolarHBondContact O-N 2.98Å
570R35.5Very low45.5Very low253 Ų253104.3 Ų104.396%0.95553%0.526SS*.  trans-50.2124.7168.9-69.4179.8177.2174.8-2.6108.1
571R41.4Very low46.7Very low151 Ų151108.5 Ų108.557%0.5754%0.544SS*.  trans-126.1128.7-175.5-80.5164.2-174.5179.74.5108.3K569K569-R571 WeakPolarHBondContact O-CG 3.22Å; K569-R571 PolarHBondContact O-N 2.98Å
572A35.4Very low48.4Very low86 Ų86110 Ų11071%0.71156%0.562SS**  trans-59.1159.6172.200000111.3R574A572-R574 PolarHBondContact O-N 3.5Å
573L42Very low50Low146 Ų146112.3 Ų112.376%0.76457%0.572SS**  trans-51.1134.3167.4-16768000109.2
574R51.6Low51.7Low176 Ų176113.3 Ų113.366%0.66457%0.568SS**  trans-125.8111180-75.4-171.9176-128-4109.9A572 T576A572-R574 PolarHBondContact O-N 3.5Å; R574-T576 PolarHBondContact O-N 3.35Å
575D60.7Low53.8Low134 Ų134110.1 Ų110.172%0.71755%0.553SS**SBendtrans-75.827.9172.7-59.3-24.7000112.6
576T73.6Confident56.2Low91 Ų91105.1 Ų105.156%0.55853%0.527SS*.SBendtrans-141.8140.5178.741.20000111.2R574R574-T576 PolarHBondContact O-N 3.35Å
577P80.7Confident58.8Low18 Ų18103 Ų10312%0.11751%0.514CS..  trans-62.1148.7179.3-18.528.1000112.2K579 P594 Y617 L640P577-K579 PolarHBondContact O-N 2.85Å; P577-P594 HydrophobicContact CB-CB 4.42Å; P577-P594 HydrophobicContact CG-CB 3.46Å; P577-P594 VanDerWaalsContact CG-CB 3.46Å; P577-P594 HydrophobicContact CG-CG 3.62Å; P577-Y617 HydrophobicContact CB-CD1 4.45Å; P577-Y617 HydrophobicContact CB-CD2 4.29Å; P577-Y617 HydrophobicContact CB-CG 4.23Å; P577-Y617 VanDerWaalsContact CD-CE2 3.5Å; P577-Y617 HydrophobicContact CG-CD1 3.98Å; P577-Y617 HydrophobicContact CG-CD2 4.02Å; P577-Y617 HydrophobicContact CG-CE1 3.83Å; P577-Y617 HydrophobicContact CG-CE2 3.86Å; P577-Y617 HydrophobicContact CG-CG 4.09Å; P577-L640 HydrophobicContact CB-CD1 4.2Å; P577-L640 HydrophobicContact CB-CG 4.13Å; P577-L640 HydrophobicContact CG-CD1 4.25Å; P577-L640 HydrophobicContact CG-CG 4.44Å
578R82.5Confident61.4Low94 Ų94103.5 Ų103.536%0.35551%0.51SS..EExtended strand (participates in β ladder)trans-69.1117.7178.8-164.7-171.6-52-158.68.8110I580 E637 C639 L640R578-I580 HydrophobicContact CB-CG2 4.23Å; R578-I580 HydrophobicContact CG-CG2 3.81Å; R578-I580 PolarHBondContact O-N 2.69Å; R578-E637 IonicContact CZ-OE1 3.43Å; R578-E637 IonicContact CZ-OE2 3.72Å; R578-E637 IonicContact NE-OE1 2.73Å; R578-E637 PolarHBondContact NE-OE1 2.91Å; R578-E637 IonicContact NE-OE2 2.68Å; R578-E637 VanDerWaalsContact NH2-CD 3.33Å; R578-E637 IonicContact NH2-OE1 3.23Å; R578-E637 PolarHBondContact NH2-OE1 2.66Å; R578-E637 IonicContact NH2-OE2 2.73Å; R578-E637 PolarHBondContact NH2-OE2 3.26Å; R578-C639 WeakPolarHBondContact O-CB 2.82Å; R578-L640 PolarHBondContact O-N 2.92Å
579K79.4Confident64.1Low114 Ų11498.3 Ų98.350%0.49647%0.474SS..EExtended strand (participates in β ladder)trans-71.5108.4167.4-61.7-151.8-179.9-163.70110P577 L640 Q642 E645P577-K579 PolarHBondContact O-N 2.85Å; K579-L640 CarbonylContact C-O 3.57Å; K579-L640 VanDerWaalsContact CA-O 3.26Å; K579-L640 WeakPolarHBondContact CA-O 3.42Å; K579-L640 HydrophobicContact CG-CB 4.13Å; K579-L640 HydrophobicContact CG-CD1 4.45Å; K579-Q642 HydrophobicContact CB-CG 4.27Å; K579-Q642 PolarHBondContact O-NE2 2.87Å; K579-E645 WeakPolarHBondContact CE-OE1 3.31Å; K579-E645 IonicContact NZ-OE1 2.73Å; K579-E645 PolarHBondContact NZ-OE1 2.94Å; K579-E645 IonicContact NZ-OE2 3.86Å; K579-E645 PolarHBondContact NZ-OE2 2.96Å
580I76.1Confident66.3Low15 Ų1595.1 Ų95.18%0.07747%0.473CS..EExtended strand (participates in β ladder)trans-111.2154.8-17963.6169.5000112R578 V586 C639 L640 L641 Q642R578-I580 HydrophobicContact CB-CG2 4.23Å; R578-I580 HydrophobicContact CG-CG2 3.81Å; R578-I580 PolarHBondContact O-N 2.69Å; I580-V586 HydrophobicContact CD1-CG2 3.66Å; I580-C639 HydrophobicContact CD1-CB 4.07Å; I580-C639 WeakPolarHBondContact CD1-SG 3.43Å; I580-C639 HydrophobicContact CG1-CB 4.18Å; I580-L640 PolarHBondContact N-O 2.95Å; I580-L641 HydrophobicContact CD1-CD2 4.49Å; I580-L641 HydrophobicContact CG1-CD2 4.26Å; I580-L641 CarbonylContact O-C 3.57Å; I580-Q642 WeakPolarHBondContact O-CG 3.38Å; I580-Q642 PolarHBondContact O-N 2.74Å
581K67.5Low68.4Low156 Ų15684.7 Ų84.768%0.67844%0.435SS*.  trans-69.9157.6162.9-66.6-176.5178.9-176.80108.9Q583K581-Q583 PolarHBondContact O-N 2.94Å
582A61.8Low70.2Confident84 Ų8483.8 Ų83.869%0.69445%0.446SS*.  trans-53.1114171.600000110.2L641A582-L641 HydrophobicContact CB-CD2 4.33Å
583Q62.8Low72.6Confident78 Ų7882.2 Ų82.236%0.36443%0.426SS..  trans-111.5148.4170.9-64.3-171.5-43.800107.6K581 N585 V586K581-Q583 PolarHBondContact O-N 2.94Å; Q583-N585 VanDerWaalsContact CB-OD1 3.27Å; Q583-N585 WeakPolarHBondContact CB-OD1 3.18Å; Q583-N585 PolarHBondContact O-N 3.45Å; Q583-V586 HydrophobicContact CB-CG2 4.01Å
584Y63.5Low74.7Confident97 Ų9776.1 Ų76.138%0.3840%0.395SS..THydrogen-bonded Turntrans-63.1-30.9-178.952.2-71000111.1Y104 A107 V586Y104-Y584 AromaticContact CD2-CD2 3.78Å; Y104-Y584 HydrophobicContact CD2-CD2 3.78Å; Y104-Y584 AromaticContact CD2-CE2 3.64Å; Y104-Y584 HydrophobicContact CD2-CE2 3.64Å; Y104-Y584 HydrophobicContact CE2-CD2 4.19Å; Y104-Y584 HydrophobicContact CE2-CE2 4.33Å; Y104-Y584 HydrophobicContact CG-CE2 4.46Å; A107-Y584 CarbonylContact C-O 3.5Å; A107-Y584 VanDerWaalsContact C-O 3.26Å; A107-Y584 HydrophobicContact CB-CD2 3.34Å; A107-Y584 HydrophobicContact CB-CE2 3.98Å; A107-Y584 HydrophobicContact CB-CG 4.18Å; Y584-V586 PolarHBondContact O-N 2.79Å
585N71.3Confident76.5Confident23 Ų2371 Ų7112%0.12338%0.381CS..THydrogen-bonded Turntrans-82.231.9-178.274.1-53.9000114.7A107 Q583 R650 R651A107-N585 HydrophobicContact CB-CB 3.8Å; Q583-N585 VanDerWaalsContact CB-OD1 3.27Å; Q583-N585 WeakPolarHBondContact CB-OD1 3.18Å; Q583-N585 PolarHBondContact O-N 3.45Å; N585-R650 WeakPolarHBondContact ND2-CG 3.37Å; N585-R650 CarbonylContact O-C 3.55Å; N585-R650 WeakPolarHBondContact O-CA 3.32Å; N585-R651 WeakPolarHBondContact CB-O 3.46Å; N585-R651 PolarHBondContact ND2-O 3.08Å; N585-R651 PolarHBondContact O-N 3.18Å
586V78.4Confident77.8Confident16 Ų1669.6 Ų69.610%0.09737%0.37CS..EExtended strand (participates in β ladder)trans-124114.2-176.4-175.10000109.9I580 Q583 Y584 L641 V649 R650I580-V586 HydrophobicContact CD1-CG2 3.66Å; Q583-V586 HydrophobicContact CB-CG2 4.01Å; Y584-V586 PolarHBondContact O-N 2.79Å; V586-L641 HydrophobicContact CG1-CD1 4.29Å; V586-L641 HydrophobicContact CG1-CD2 4.4Å; V586-V649 WeakPolarHBondContact CA-O 3.45Å; V586-R650 HydrophobicContact CG2-CB 4.13Å; V586-R650 HydrophobicContact CG2-CG 4.2Å
587T82.8Confident78.5Confident35 Ų3565.3 Ų65.322%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-75.1126.1168.7-57.20000108.4G648 V649 R651 L669T587-G648 CarbonylContact O-C 3.6Å; T587-G648 WeakPolarHBondContact O-CA 3.4Å; T587-V649 PolarHBondContact N-O 3.21Å; T587-V649 PolarHBondContact O-N 2.84Å; T587-R651 WeakPolarHBondContact OG1-CD 3.46Å; T587-R651 PolarHBondContact OG1-NE 3.43Å; T587-R651 VanDerWaalsContact OG1-NE 3.08Å; T587-L669 HydrophobicContact CG2-CD1 4.31Å
588L83.1Confident79Confident118 Ų11864.9 Ų64.962%0.61834%0.34SS*.EExtended strand (participates in β ladder)trans-74.5136.5172.4-55.2-177.2000109L641L588-L641 HydrophobicContact CD2-CD1 3.22Å
589T82.8Confident79.4Confident8 Ų865.1 Ų65.15%0.04935%0.349CS..PPolyproline II helixtrans-103.3152.2172610000110.9Q591 V597 V647 V649 I674T589-Q591 PolarHBondContact O-N 2.88Å; T589-V597 HydrophobicContact CG2-CG1 4.05Å; T589-V597 HydrophobicContact CG2-CG2 4.19Å; T589-V647 PolarHBondContact N-O 2.96Å; T589-V647 WeakPolarHBondContact OG1-CB 3.31Å; T589-V647 PolarHBondContact OG1-O 3.17Å; T589-V647 VanDerWaalsContact OG1-O 3.11Å; T589-V649 HydrophobicContact CG2-CG2 3.99Å; T589-I674 WeakPolarHBondContact CA-OXT 3.47Å; T589-I674 HydrophobicContact CG2-CB 3.83Å; T589-I674 HydrophobicContact CG2-CD1 4.14Å; T589-I674 HydrophobicContact CG2-CG1 4.28Å
590S80.3Confident79.9Confident104 Ų10462.3 Ų62.373%0.72734%0.338SS*.SBendtrans-65.7-20.7170.962.60000113.5I674S590-I674 VanDerWaalsContact CB-OXT 3.32Å; S590-I674 WeakPolarHBondContact CB-OXT 3.39Å; S590-I674 PolarHBondContact N-OXT 3.3Å; S590-I674 PolarHBondContact OG-OXT 3.4Å
591Q78.1Confident80.6Confident34 Ų3461.6 Ų61.616%0.15933%0.334CS..  trans-89.4150.3-172.3-58.5-177.21800113.9T589 V597 V647 S673T589-Q591 PolarHBondContact O-N 2.88Å; Q591-V597 HydrophobicContact CB-CG2 3.86Å; Q591-V597 HydrophobicContact CG-CG2 4.46Å; Q591-V647 WeakPolarHBondContact O-CG2 3.32Å; Q591-S673 PolarHBondContact NE2-O 3.45Å
592T79.3Confident81.8Confident132 Ų13255.5 Ų55.581%0.8131%0.309SS*.SBendtrans-97.7-13.6179.853.60000114V647T592-V647 WeakPolarHBondContact O-CG2 3.17Å
593N85.7Confident83.2Confident54 Ų5455 Ų5529%0.28930%0.3SS..  trans-105114.3-178.2-172.8-13.6000111.8D595 Q596 V597N593-D595 VanDerWaalsContact C-N 3.26Å; N593-D595 PolarHBondContact O-N 2.95Å; N593-D595 WeakPolarHBondContact OD1-CB 2.88Å; N593-D595 PolarHBondContact OD1-N 3.01Å; N593-Q596 HydrophobicContact CB-CB 4.17Å; N593-Q596 HydrophobicContact CB-CG 3.96Å; N593-Q596 PolarHBondContact O-N 3.38Å; N593-V597 PolarHBondContact O-N 3.29Å
594P87.4Confident84.6Confident18 Ų1851.5 Ų51.512%0.11728%0.284CS..Hα-helixtrans-55.9-33.8175.3-25.634.7000115P577 L598 Y617 V638 L640 V647P577-P594 HydrophobicContact CB-CB 4.42Å; P577-P594 HydrophobicContact CG-CB 3.46Å; P577-P594 VanDerWaalsContact CG-CB 3.46Å; P577-P594 HydrophobicContact CG-CG 3.62Å; P594-L598 WeakPolarHBondContact O-CB 3.28Å; P594-L598 PolarHBondContact O-N 3.43Å; P594-Y617 HydrophobicContact CB-CD1 4.35Å; P594-Y617 HydrophobicContact CB-CE1 3.9Å; P594-V638 HydrophobicContact CB-CG1 4.06Å; P594-L640 HydrophobicContact CG-CD2 4.16Å; P594-L640 HydrophobicContact CG-CG 4.43Å; P594-V647 HydrophobicContact CG-CG2 3.96Å
595D89.3Confident85.9Confident69 Ų6946.9 Ų46.937%0.36927%0.266SS..Hα-helixtrans-73.9-31.6-177.5-56.6-42.5000111.6N593 N599 Y617N593-D595 VanDerWaalsContact C-N 3.26Å; N593-D595 PolarHBondContact O-N 2.95Å; N593-D595 WeakPolarHBondContact OD1-CB 2.88Å; N593-D595 PolarHBondContact OD1-N 3.01Å; D595-N599 WeakPolarHBondContact O-CB 3.43Å; D595-N599 VanDerWaalsContact O-CG 3.25Å; D595-N599 PolarHBondContact O-N 3.45Å; D595-N599 PolarHBondContact O-ND2 3.44Å; D595-Y617 WeakPolarHBondContact OD1-CE1 3.29Å; D595-Y617 VanDerWaalsContact OD1-CZ 3.25Å; D595-Y617 PolarHBondContact OD1-OH 2.82Å
596Q88Confident86.8Confident104 Ų10449.4 Ų49.449%0.48628%0.284SS..Hα-helixtrans-68.6-49.1176.3-71.2175.1-22.400110.6N593 L598 N599 Q600N593-Q596 HydrophobicContact CB-CB 4.17Å; N593-Q596 HydrophobicContact CB-CG 3.96Å; N593-Q596 PolarHBondContact O-N 3.38Å; Q596-L598 VanDerWaalsContact C-N 3.3Å; Q596-L598 PolarHBondContact O-N 2.93Å; Q596-N599 PolarHBondContact O-N 2.89Å; Q596-Q600 WeakPolarHBondContact O-CG 3.09Å; Q596-Q600 PolarHBondContact O-N 2.94Å; Q596-Q600 PolarHBondContact O-OE1 3.17Å
597V88.7Confident87.3Confident0 Ų055.2 Ų55.20%031%0.309CS..Hα-helixtrans-55.9-44.4173.9174.70000111.4T589 Q591 N593 I601 V638 V647 V649 I674T589-V597 HydrophobicContact CG2-CG1 4.05Å; T589-V597 HydrophobicContact CG2-CG2 4.19Å; Q591-V597 HydrophobicContact CB-CG2 3.86Å; Q591-V597 HydrophobicContact CG-CG2 4.46Å; N593-V597 PolarHBondContact O-N 3.29Å; V597-I601 HydrophobicContact CG1-CD1 3.96Å; V597-I601 WeakPolarHBondContact O-CD1 3.17Å; V597-I601 VanDerWaalsContact O-CG1 3.29Å; V597-I601 WeakPolarHBondContact O-CG1 2.85Å; V597-I601 PolarHBondContact O-N 3.45Å; V597-V638 HydrophobicContact CB-CG1 4.37Å; V597-V638 HydrophobicContact CG1-CG1 4.19Å; V597-V638 HydrophobicContact CG1-CG2 4.07Å; V597-V647 HydrophobicContact CB-CG1 4.34Å; V597-V647 HydrophobicContact CG2-CG1 3.97Å; V597-V649 HydrophobicContact CG1-CG2 3.72Å; V597-I674 HydrophobicContact CB-CG2 4.43Å; V597-I674 HydrophobicContact CG1-CD1 4.4Å; V597-I674 HydrophobicContact CG1-CG2 4.28Å; V597-I674 HydrophobicContact CG2-CG2 4.16Å
598L90.6Very high87.5Confident9 Ų956 Ų565%0.04731%0.31CS..Hα-helixtrans-64.4-46.2178.7-173.864.7000112.1P594 Q596 Q600 I601 L602 Y617 L619 V638P594-L598 WeakPolarHBondContact O-CB 3.28Å; P594-L598 PolarHBondContact O-N 3.43Å; Q596-L598 VanDerWaalsContact C-N 3.3Å; Q596-L598 PolarHBondContact O-N 2.93Å; L598-Q600 PolarHBondContact O-N 2.99Å; L598-I601 PolarHBondContact O-N 2.94Å; L598-L602 HydrophobicContact CG-CD1 4.08Å; L598-L602 WeakPolarHBondContact O-CB 3.39Å; L598-L602 VanDerWaalsContact O-CG 3.26Å; L598-L602 WeakPolarHBondContact O-CG 3.43Å; L598-L602 PolarHBondContact O-N 2.88Å; L598-Y617 HydrophobicContact CD2-CD1 3.79Å; L598-Y617 HydrophobicContact CD2-CE1 4.12Å; L598-Y617 HydrophobicContact CD2-CG 4.5Å; L598-L619 HydrophobicContact CD1-CD1 4.08Å; L598-L619 HydrophobicContact CD1-CD2 4.04Å; L598-L619 HydrophobicContact CD1-CG 3.99Å; L598-V638 HydrophobicContact CB-CG2 4.14Å; L598-V638 HydrophobicContact CD1-CG2 3.89Å
599N89.8Confident87.8Confident100 Ų10056.9 Ų56.954%0.53532%0.315SS..Hα-helixtrans-66.9-34.7-179.2-75.4-45.5000112.9D595 Q596 L602 S603D595-N599 WeakPolarHBondContact O-CB 3.43Å; D595-N599 VanDerWaalsContact O-CG 3.25Å; D595-N599 PolarHBondContact O-N 3.45Å; D595-N599 PolarHBondContact O-ND2 3.44Å; Q596-N599 PolarHBondContact O-N 2.89Å; N599-L602 PolarHBondContact O-N 3.47Å; N599-S603 PolarHBondContact O-N 2.88Å
600Q90.3Very high88.2Confident55 Ų5556.7 Ų56.726%0.25731%0.314SS..Hα-helixtrans-65.9-47.8174.1-74.3170.3-54.200111.8Q596 L598 L602 S603 V604 S672 I674Q596-Q600 WeakPolarHBondContact O-CG 3.09Å; Q596-Q600 PolarHBondContact O-N 2.94Å; Q596-Q600 PolarHBondContact O-OE1 3.17Å; L598-Q600 PolarHBondContact O-N 2.99Å; Q600-L602 VanDerWaalsContact C-N 3.27Å; Q600-L602 PolarHBondContact O-N 3.37Å; Q600-S603 PolarHBondContact O-N 2.88Å; Q600-S603 PolarHBondContact O-OG 3.39Å; Q600-V604 PolarHBondContact O-N 3.29Å; Q600-S672 PolarHBondContact NE2-O 2.86Å; Q600-I674 HydrophobicContact CB-CG2 4.49Å
601I91.6Very high88.7Confident0 Ų056.1 Ų56.10%030%0.303CS..Hα-helixtrans-59.1-41.7175.7-62.9163.9000110.5V597 L598 S603 V604 L605 L619 L636 V638 V649 I668 L669 I674V597-I601 HydrophobicContact CG1-CD1 3.96Å; V597-I601 WeakPolarHBondContact O-CD1 3.17Å; V597-I601 VanDerWaalsContact O-CG1 3.29Å; V597-I601 WeakPolarHBondContact O-CG1 2.85Å; V597-I601 PolarHBondContact O-N 3.45Å; L598-I601 PolarHBondContact O-N 2.94Å; I601-S603 VanDerWaalsContact C-N 3.3Å; I601-S603 PolarHBondContact O-N 2.7Å; I601-V604 PolarHBondContact O-N 3.49Å; I601-L605 HydrophobicContact CG2-CD1 3.95Å; I601-L605 HydrophobicContact CG2-CG 4.23Å; I601-L605 VanDerWaalsContact O-CG 3.31Å; I601-L605 WeakPolarHBondContact O-CG 3.36Å; I601-L605 PolarHBondContact O-N 2.94Å; I601-L605 VanDerWaalsContact O-N 3.11Å; I601-L619 HydrophobicContact CB-CD1 4.37Å; I601-L619 HydrophobicContact CG2-CD1 3.66Å; I601-L636 HydrophobicContact CG2-CD1 3.82Å; I601-V638 HydrophobicContact CD1-CG2 4.27Å; I601-V649 HydrophobicContact CD1-CG1 4.13Å; I601-V649 HydrophobicContact CD1-CG2 3.75Å; I601-I668 HydrophobicContact CG2-CG2 4.29Å; I601-L669 HydrophobicContact CD1-CD2 4.41Å; I601-I674 HydrophobicContact CD1-CD1 4.22Å; I601-I674 HydrophobicContact CG1-CD1 4.18Å
602L91.5Very high89.4Confident28 Ų2858 Ų5815%0.14731%0.311CS..Hα-helixtrans-60.7-34.1175.2-76.2169.1000113.3L598 N599 Q600 P606 F612 L619L598-L602 HydrophobicContact CG-CD1 4.08Å; L598-L602 WeakPolarHBondContact O-CB 3.39Å; L598-L602 VanDerWaalsContact O-CG 3.26Å; L598-L602 WeakPolarHBondContact O-CG 3.43Å; L598-L602 PolarHBondContact O-N 2.88Å; N599-L602 PolarHBondContact O-N 3.47Å; Q600-L602 VanDerWaalsContact C-N 3.27Å; Q600-L602 PolarHBondContact O-N 3.37Å; L602-P606 VanDerWaalsContact O-CD 3.24Å; L602-P606 WeakPolarHBondContact O-CD 3.16Å; L602-F612 HydrophobicContact CD2-CD2 3.87Å; L602-F612 HydrophobicContact CD2-CE1 4.43Å; L602-F612 HydrophobicContact CD2-CE2 3.23Å; L602-F612 HydrophobicContact CD2-CZ 3.56Å; L602-L619 HydrophobicContact CD2-CD1 4.12Å; L602-L619 HydrophobicContact CD2-CD2 3.69Å; L602-L619 HydrophobicContact CG-CD1 4.29Å; L602-L619 HydrophobicContact CG-CD2 4.32Å
603S91.3Very high90Very high72 Ų7255.2 Ų55.250%0.50329%0.294SS..Hα-helixtrans-72.4-33176.569.10000113.5N599 Q600 I601N599-S603 PolarHBondContact O-N 2.88Å; Q600-S603 PolarHBondContact O-N 2.88Å; Q600-S603 PolarHBondContact O-OG 3.39Å; I601-S603 VanDerWaalsContact C-N 3.3Å; I601-S603 PolarHBondContact O-N 2.7Å
604V92.1Very high90.3Very high5 Ų556.8 Ų56.83%0.0330%0.299CS..Hα-helixtrans-83-32.7-1771730000113.1Q600 I601 E607 K608 I668 T671Q600-V604 PolarHBondContact O-N 3.29Å; I601-V604 PolarHBondContact O-N 3.49Å; V604-E607 WeakPolarHBondContact O-CB 3.45Å; V604-E607 PolarHBondContact O-N 3.15Å; V604-E607 VanDerWaalsContact O-N 3.09Å; V604-K608 HydrophobicContact CG1-CD 4.49Å; V604-K608 HydrophobicContact CG1-CG 3.81Å; V604-K608 WeakPolarHBondContact O-CG 3.24Å; V604-K608 PolarHBondContact O-N 3.06Å; V604-I668 HydrophobicContact CG1-CG2 4.3Å; V604-T671 HydrophobicContact CG1-CG2 3.91Å; V604-T671 HydrophobicContact CG2-CG2 3.86Å
605L91.6Very high90.3Very high0 Ų062.8 Ų62.80%032%0.324CS..Hα-helixtrans-54.8-43.5-176.2-75.5166000114.3I601 K608 N609 V610 F612 L619 I668I601-L605 HydrophobicContact CG2-CD1 3.95Å; I601-L605 HydrophobicContact CG2-CG 4.23Å; I601-L605 VanDerWaalsContact O-CG 3.31Å; I601-L605 WeakPolarHBondContact O-CG 3.36Å; I601-L605 PolarHBondContact O-N 2.94Å; I601-L605 VanDerWaalsContact O-N 3.11Å; L605-K608 PolarHBondContact O-N 3.3Å; L605-N609 PolarHBondContact O-N 2.76Å; L605-V610 HydrophobicContact CB-CB 4.4Å; L605-V610 HydrophobicContact CD2-CB 3.74Å; L605-V610 HydrophobicContact CD2-CG1 3.68Å; L605-V610 HydrophobicContact CD2-CG2 4.28Å; L605-V610 PolarHBondContact O-N 3.13Å; L605-F612 HydrophobicContact CB-CD1 3.75Å; L605-F612 HydrophobicContact CB-CE1 4.01Å; L605-F612 HydrophobicContact CD1-CB 4.19Å; L605-F612 HydrophobicContact CD1-CD1 3.82Å; L605-F612 HydrophobicContact CD1-CE1 4.4Å; L605-F612 HydrophobicContact CD1-CG 4Å; L605-F612 HydrophobicContact CG-CD1 4.41Å; L605-L619 HydrophobicContact CD1-CD1 3.71Å; L605-I668 HydrophobicContact CD2-CD1 3.87Å
606P90.3Very high90.3Very high77 Ų7760.8 Ų60.850%0.532%0.319SS..Hα-helixtrans-62-41.1174.1-23.634.7000113.6L602 K608 N609 F612L602-P606 VanDerWaalsContact O-CD 3.24Å; L602-P606 WeakPolarHBondContact O-CD 3.16Å; P606-K608 PolarHBondContact O-N 2.92Å; P606-N609 PolarHBondContact O-N 3.12Å; P606-F612 HydrophobicContact CG-CE1 4.26Å
607E89.7Confident90.4Very high137 Ų13757.5 Ų57.564%0.6430%0.303SS*.Hα-helixtrans-62.4-32.1179.9-56.5-174.1152.900112.1V604 N609V604-E607 WeakPolarHBondContact O-CB 3.45Å; V604-E607 PolarHBondContact O-N 3.15Å; V604-E607 VanDerWaalsContact O-N 3.09Å; E607-N609 VanDerWaalsContact C-N 3.3Å
608K86.8Confident90.4Very high52 Ų5258.8 Ų58.823%0.22631%0.31CS..THydrogen-bonded Turntrans-87.38.4176.8-53.3-59.1-177.1166.50113.5V604 L605 P606 V610 L664 D667 I668 T671V604-K608 HydrophobicContact CG1-CD 4.49Å; V604-K608 HydrophobicContact CG1-CG 3.81Å; V604-K608 WeakPolarHBondContact O-CG 3.24Å; V604-K608 PolarHBondContact O-N 3.06Å; L605-K608 PolarHBondContact O-N 3.3Å; P606-K608 PolarHBondContact O-N 2.92Å; K608-V610 VanDerWaalsContact C-N 3.32Å; K608-V610 HydrophobicContact CB-CG2 3.92Å; K608-V610 PolarHBondContact O-N 2.76Å; K608-L664 HydrophobicContact CB-CD1 4.4Å; K608-D667 VanDerWaalsContact CD-OD2 3.29Å; K608-D667 WeakPolarHBondContact CD-OD2 3.44Å; K608-D667 VanDerWaalsContact CE-OD2 3.24Å; K608-D667 WeakPolarHBondContact CE-OD2 3.28Å; K608-D667 IonicContact NZ-OD1 2.77Å; K608-D667 PolarHBondContact NZ-OD1 2.98Å; K608-D667 IonicContact NZ-OD2 2.67Å; K608-D667 PolarHBondContact NZ-OD2 3.21Å; K608-I668 HydrophobicContact CB-CG1 4.41Å; K608-I668 HydrophobicContact CG-CG1 4.01Å; K608-T671 WeakPolarHBondContact CE-OG1 3.36Å; K608-T671 PolarHBondContact NZ-OG1 2.8Å
609N89.1Confident90.5Very high137 Ų13758.4 Ų58.473%0.73331%0.308SS*.THydrogen-bonded Turntrans55.841-175.7-57.4-87.7000113.4L605 P606 E607L605-N609 PolarHBondContact O-N 2.76Å; P606-N609 PolarHBondContact O-N 3.12Å; E607-N609 VanDerWaalsContact C-N 3.3Å
610V91.5Very high90.5Very high4 Ų457.6 Ų57.62%0.02430%0.3CS..  trans-108.7108.5179.4-171.30000110.2L605 K608 C621 Q622 T623 F634 L664 I668L605-V610 HydrophobicContact CB-CB 4.4Å; L605-V610 HydrophobicContact CD2-CB 3.74Å; L605-V610 HydrophobicContact CD2-CG1 3.68Å; L605-V610 HydrophobicContact CD2-CG2 4.28Å; L605-V610 PolarHBondContact O-N 3.13Å; K608-V610 VanDerWaalsContact C-N 3.32Å; K608-V610 HydrophobicContact CB-CG2 3.92Å; K608-V610 PolarHBondContact O-N 2.76Å; V610-C621 HydrophobicContact CG1-CB 3.67Å; V610-Q622 WeakPolarHBondContact CG1-O 3.31Å; V610-T623 HydrophobicContact CB-CG2 4.36Å; V610-T623 HydrophobicContact CG1-CG2 4.18Å; V610-T623 HydrophobicContact CG2-CG2 3.9Å; V610-F634 HydrophobicContact CG1-CE1 4.14Å; V610-F634 HydrophobicContact CG1-CZ 3.89Å; V610-L664 HydrophobicContact CG2-CD1 4.11Å; V610-L664 HydrophobicContact CG2-CD2 4.31Å; V610-I668 HydrophobicContact CG2-CD1 4.29Å
611D90.8Very high90.6Very high92 Ų9255 Ų5549%0.49229%0.288SS..EExtended strand (participates in β ladder)trans-65.5143.2170.2-76.2-15.2000110.1C621 Q622 W624D611-C621 CarbonylContact O-C 3.44Å; D611-C621 WeakPolarHBondContact O-CA 3.31Å; D611-Q622 PolarHBondContact N-O 3.25Å; D611-Q622 PolarHBondContact O-N 3.47Å; D611-W624 PolarHBondContact OD2-NE1 2.73Å
612F92.6Very high90.6Very high74 Ų7458.4 Ų58.433%0.32530%0.304SS..EExtended strand (participates in β ladder)trans-142.8158.5178.264.8-91.6000114.1L602 L605 P606 K620L602-F612 HydrophobicContact CD2-CD2 3.87Å; L602-F612 HydrophobicContact CD2-CE1 4.43Å; L602-F612 HydrophobicContact CD2-CE2 3.23Å; L602-F612 HydrophobicContact CD2-CZ 3.56Å; L605-F612 HydrophobicContact CB-CD1 3.75Å; L605-F612 HydrophobicContact CB-CE1 4.01Å; L605-F612 HydrophobicContact CD1-CB 4.19Å; L605-F612 HydrophobicContact CD1-CD1 3.82Å; L605-F612 HydrophobicContact CD1-CE1 4.4Å; L605-F612 HydrophobicContact CD1-CG 4Å; L605-F612 HydrophobicContact CG-CD1 4.41Å; P606-F612 HydrophobicContact CG-CE1 4.26Å; F612-K620 CarbonylContact C-O 3.36Å; F612-K620 VanDerWaalsContact CA-O 3.22Å; F612-K620 WeakPolarHBondContact CA-O 3.43Å
613T92Very high90.5Very high73 Ų7358 Ų5845%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-127.9114.1167.9-51.90000109.1K620T613-K620 PolarHBondContact N-O 3.13Å; T613-K620 PolarHBondContact O-N 3.34Å
614Q91.3Very high90.2Very high86 Ų8660.8 Ų60.840%0.40230%0.302SS..EExtended strand (participates in β ladder)trans-80.1138.6176.8-177.9175.42.300111.5G616 L619Q614-G616 WeakPolarHBondContact CG-O 3.29Å; Q614-G616 PolarHBondContact NE2-O 3.39Å; Q614-G616 VanDerWaalsContact NE2-O 3.08Å; Q614-L619 HydrophobicContact CB-CD2 3.71Å; Q614-L619 HydrophobicContact CG-CD2 3.73Å
615K88.6Confident89.7Confident145 Ų14563.8 Ų63.863%0.6332%0.318SS*.EExtended strand (participates in β ladder)trans-138.191.8167.1-63.2-162.9177.9-158.70108.9Y617 T618K615-Y617 PolarHBondContact O-N 3.11Å; K615-T618 PolarHBondContact N-O 3.44Å; K615-T618 PolarHBondContact O-N 3.06Å
616G88.8Confident89Confident27 Ų2772.4 Ų72.428%0.27836%0.364SS..THydrogen-bonded Turntrans61.2-128.9-168.500000110.8Q614 T618Q614-G616 WeakPolarHBondContact CG-O 3.29Å; Q614-G616 PolarHBondContact NE2-O 3.39Å; Q614-G616 VanDerWaalsContact NE2-O 3.08Å; G616-T618 VanDerWaalsContact C-N 3.27Å; G616-T618 PolarHBondContact O-N 2.9Å
617Y89.4Confident88.2Confident35 Ų3572.6 Ų72.614%0.13737%0.367CS..THydrogen-bonded Turntrans-80.64.8176.6-65-84.8000114.8P577 P594 D595 L598 K615 E637 V638P577-Y617 HydrophobicContact CB-CD1 4.45Å; P577-Y617 HydrophobicContact CB-CD2 4.29Å; P577-Y617 HydrophobicContact CB-CG 4.23Å; P577-Y617 VanDerWaalsContact CD-CE2 3.5Å; P577-Y617 HydrophobicContact CG-CD1 3.98Å; P577-Y617 HydrophobicContact CG-CD2 4.02Å; P577-Y617 HydrophobicContact CG-CE1 3.83Å; P577-Y617 HydrophobicContact CG-CE2 3.86Å; P577-Y617 HydrophobicContact CG-CG 4.09Å; P594-Y617 HydrophobicContact CB-CD1 4.35Å; P594-Y617 HydrophobicContact CB-CE1 3.9Å; D595-Y617 WeakPolarHBondContact OD1-CE1 3.29Å; D595-Y617 VanDerWaalsContact OD1-CZ 3.25Å; D595-Y617 PolarHBondContact OD1-OH 2.82Å; L598-Y617 HydrophobicContact CD2-CD1 3.79Å; L598-Y617 HydrophobicContact CD2-CE1 4.12Å; L598-Y617 HydrophobicContact CD2-CG 4.5Å; K615-Y617 PolarHBondContact O-N 3.11Å; Y617-E637 WeakPolarHBondContact O-CA 3.38Å; Y617-V638 WeakPolarHBondContact CB-O 3.35Å; Y617-V638 HydrophobicContact CD1-CB 4.22Å; Y617-V638 HydrophobicContact CD1-CG1 4.45Å; Y617-V638 PolarHBondContact O-N 3.11Å
618T89.3Confident87.5Confident27 Ų2768.7 Ų68.717%0.16636%0.364CS..EExtended strand (participates in β ladder)trans-103.9122.5175-51.90000110.7K615 G616 E635 E637K615-T618 PolarHBondContact N-O 3.44Å; K615-T618 PolarHBondContact O-N 3.06Å; G616-T618 VanDerWaalsContact C-N 3.27Å; G616-T618 PolarHBondContact O-N 2.9Å; T618-E635 HydrophobicContact CG2-CB 4.48Å; T618-E637 HydrophobicContact CG2-CB 4.45Å
619L91.4Very high86.9Confident1 Ų172.9 Ų72.91%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-99.6123.4170-54-179.8000109.1L598 I601 L602 L605 Q614 E635 L636L598-L619 HydrophobicContact CD1-CD1 4.08Å; L598-L619 HydrophobicContact CD1-CD2 4.04Å; L598-L619 HydrophobicContact CD1-CG 3.99Å; I601-L619 HydrophobicContact CB-CD1 4.37Å; I601-L619 HydrophobicContact CG2-CD1 3.66Å; L602-L619 HydrophobicContact CD2-CD1 4.12Å; L602-L619 HydrophobicContact CD2-CD2 3.69Å; L602-L619 HydrophobicContact CG-CD1 4.29Å; L602-L619 HydrophobicContact CG-CD2 4.32Å; L605-L619 HydrophobicContact CD1-CD1 3.71Å; Q614-L619 HydrophobicContact CB-CD2 3.71Å; Q614-L619 HydrophobicContact CG-CD2 3.73Å; L619-E635 CarbonylContact O-C 3.59Å; L619-E635 VanDerWaalsContact O-CA 3.23Å; L619-E635 WeakPolarHBondContact O-CA 3.35Å; L619-L636 PolarHBondContact N-O 2.95Å; L619-L636 PolarHBondContact O-N 3.43Å
620K90.1Very high86.4Confident83 Ų8368 Ų6836%0.36136%0.358SS..EExtended strand (participates in β ladder)trans-94.8106.5168.2-72.1177174.3-68.50108.5F612 T613 F634 E635F612-K620 CarbonylContact C-O 3.36Å; F612-K620 VanDerWaalsContact CA-O 3.22Å; F612-K620 WeakPolarHBondContact CA-O 3.43Å; T613-K620 PolarHBondContact N-O 3.13Å; T613-K620 PolarHBondContact O-N 3.34Å; K620-F634 CarbonylContact C-O 3.48Å; K620-E635 HydrophobicContact CG-CG 4.36Å; K620-E635 IonicContact NZ-OE1 3.46Å; K620-E635 PolarHBondContact NZ-OE1 3.32Å
621C92.4Very high85.9Confident1 Ų169.1 Ų69.11%0.00737%0.367CS..EExtended strand (participates in β ladder)trans-101.2147.2-173.9-58.50000111.6V610 D611 A633 F634V610-C621 HydrophobicContact CG1-CB 3.67Å; D611-C621 CarbonylContact O-C 3.44Å; D611-C621 WeakPolarHBondContact O-CA 3.31Å; C621-A633 CarbonylContact O-C 2.97Å; C621-A633 VanDerWaalsContact O-CA 3.25Å; C621-A633 WeakPolarHBondContact O-CA 3.49Å; C621-F634 HydrophobicContact CB-CD1 4.01Å; C621-F634 HydrophobicContact CB-CD2 3.67Å; C621-F634 HydrophobicContact CB-CE1 3.78Å; C621-F634 HydrophobicContact CB-CE2 3.43Å; C621-F634 VanDerWaalsContact CB-CE2 3.43Å; C621-F634 HydrophobicContact CB-CG 3.95Å; C621-F634 HydrophobicContact CB-CZ 3.49Å; C621-F634 VanDerWaalsContact CB-CZ 3.49Å; C621-F634 PolarHBondContact N-O 3.11Å; C621-F634 PolarHBondContact O-N 3.27Å
622Q91.3Very high85.6Confident70 Ų7065.2 Ų65.233%0.32735%0.346SS..EExtended strand (participates in β ladder)trans-144.3149.1178.3-62.9-174.356.500110.3V610 D611 V630 M632 A633V610-Q622 WeakPolarHBondContact CG1-O 3.31Å; D611-Q622 PolarHBondContact N-O 3.25Å; D611-Q622 PolarHBondContact O-N 3.47Å; Q622-V630 HydrophobicContact CB-CG1 4.3Å; Q622-V630 HydrophobicContact CG-CG1 4.39Å; Q622-V630 VanDerWaalsContact OE1-CG2 3.26Å; Q622-M632 WeakPolarHBondContact CA-O 3.39Å; Q622-A633 HydrophobicContact CG-CB 4.02Å
623T89.6Confident85.2Confident20 Ų2062.1 Ų62.112%0.12333%0.334CS..EExtended strand (participates in β ladder)trans-126.2160.4165.771.70000109.3V610 V630 A631 M632 L664V610-T623 HydrophobicContact CB-CG2 4.36Å; V610-T623 HydrophobicContact CG1-CG2 4.18Å; V610-T623 HydrophobicContact CG2-CG2 3.9Å; T623-V630 CarbonylContact O-C 3.54Å; T623-V630 VanDerWaalsContact O-CA 3.29Å; T623-V630 WeakPolarHBondContact O-CA 3.47Å; T623-A631 PolarHBondContact O-N 3.24Å; T623-M632 HydrophobicContact CG2-CB 4.26Å; T623-M632 PolarHBondContact N-O 3.44Å; T623-M632 VanDerWaalsContact OG1-CB 3.24Å; T623-M632 WeakPolarHBondContact OG1-CB 3.36Å; T623-M632 VanDerWaalsContact OG1-CG 3.31Å; T623-M632 WeakPolarHBondContact OG1-CG 3.1Å; T623-M632 PolarHBondContact OG1-N 3.03Å; T623-L664 HydrophobicContact CG2-CD2 3.96Å
624W84.9Confident85Confident131 Ų13158.7 Ų58.750%0.49631%0.313SS..EExtended strand (participates in β ladder)trans-118.8155.3-178.2-53.486.9000110.5D611 K629 V630D611-W624 PolarHBondContact OD2-NE1 2.73Å; W624-K629 WeakPolarHBondContact CA-O 3.27Å; W624-V630 HydrophobicContact CD2-CG2 4.33Å; W624-V630 HydrophobicContact CE3-CG2 3.83Å; W624-V630 HydrophobicContact CH2-CG2 3.63Å; W624-V630 HydrophobicContact CZ2-CG2 4.14Å; W624-V630 HydrophobicContact CZ3-CG2 3.47Å; W624-V630 VanDerWaalsContact CZ3-CG2 3.47Å
625N81.9Confident84.8Confident67 Ų6756 Ų5636%0.35830%0.3SS..  trans-100.7169.5166.766.121.5000111.4S627 G628 K629 A631N625-S627 PolarHBondContact O-N 3.33Å; N625-S627 WeakPolarHBondContact OD1-CA 3.41Å; N625-S627 PolarHBondContact OD1-N 3.22Å; N625-S627 VanDerWaalsContact OD1-N 3.11Å; N625-S627 PolarHBondContact OD1-OG 2.67Å; N625-G628 PolarHBondContact O-N 3.46Å; N625-K629 PolarHBondContact N-O 3.17Å; N625-K629 PolarHBondContact OD1-N 3.05Å; N625-K629 PolarHBondContact OD1-O 3.04Å; N625-A631 HydrophobicContact CB-CB 4.21Å
626D77.5Confident84.9Confident182 Ų18249.1 Ų49.197%0.97327%0.271SS*.THydrogen-bonded Turntrans-52.8-16.5178.5-39.6-24.1000114.6
627S73.8Confident85Confident80 Ų8048.3 Ų48.356%0.55926%0.259SS*.THydrogen-bonded Turntrans-93.111.2176.675.70000114.3N625 K629N625-S627 PolarHBondContact O-N 3.33Å; N625-S627 WeakPolarHBondContact OD1-CA 3.41Å; N625-S627 PolarHBondContact OD1-N 3.22Å; N625-S627 VanDerWaalsContact OD1-N 3.11Å; N625-S627 PolarHBondContact OD1-OG 2.67Å; S627-K629 VanDerWaalsContact C-N 3.26Å; S627-K629 PolarHBondContact O-N 2.69Å
628G74.6Confident85Confident56 Ų5646.7 Ų46.758%0.57725%0.253SS*.SBendtrans67.923.8179.900000113.6N625N625-G628 PolarHBondContact O-N 3.46Å
629K74.9Confident85Confident140 Ų14045.4 Ų45.461%0.60925%0.245SC*.SBendtrans-113.2138178.6-66.2-175.2179.8-176.10110.3W624 N625 S627 A631W624-K629 WeakPolarHBondContact CA-O 3.27Å; N625-K629 PolarHBondContact N-O 3.17Å; N625-K629 PolarHBondContact OD1-N 3.05Å; N625-K629 PolarHBondContact OD1-O 3.04Å; S627-K629 VanDerWaalsContact C-N 3.26Å; S627-K629 PolarHBondContact O-N 2.69Å; K629-A631 PolarHBondContact O-N 3.34Å
630V77.8Confident84.7Confident35 Ų3546.7 Ų46.721%0.21225%0.252CS..EExtended strand (participates in β ladder)trans-50.8113.6173-177.40000109Q622 T623 W624 M632 A633 K655Q622-V630 HydrophobicContact CB-CG1 4.3Å; Q622-V630 HydrophobicContact CG-CG1 4.39Å; Q622-V630 VanDerWaalsContact OE1-CG2 3.26Å; T623-V630 CarbonylContact O-C 3.54Å; T623-V630 VanDerWaalsContact O-CA 3.29Å; T623-V630 WeakPolarHBondContact O-CA 3.47Å; W624-V630 HydrophobicContact CD2-CG2 4.33Å; W624-V630 HydrophobicContact CE3-CG2 3.83Å; W624-V630 HydrophobicContact CH2-CG2 3.63Å; W624-V630 HydrophobicContact CZ2-CG2 4.14Å; W624-V630 HydrophobicContact CZ3-CG2 3.47Å; W624-V630 VanDerWaalsContact CZ3-CG2 3.47Å; V630-M632 WeakPolarHBondContact CG1-O 3.33Å; V630-A633 HydrophobicContact CG1-CB 4.18Å; V630-K655 PolarHBondContact O-NZ 3.34Å
631A81.7Confident84.3Confident27 Ų2743.1 Ų43.122%0.22324%0.237CC..EExtended strand (participates in β ladder)trans-82.7-68.617700000108.8T623 N625 K629 K655T623-A631 PolarHBondContact O-N 3.24Å; N625-A631 HydrophobicContact CB-CB 4.21Å; K629-A631 PolarHBondContact O-N 3.34Å; A631-K655 WeakPolarHBondContact O-CD 3.34Å; A631-K655 WeakPolarHBondContact O-CE 3.38Å; A631-K655 WeakPolarHBondContact O-CG 3.32Å; A631-K655 PolarHBondContact O-NZ 3.25Å
632M83.4Confident83.4Confident9 Ų947.6 Ų47.64%0.04426%0.258CS..EExtended strand (participates in β ladder)trans-100.4153.3173.8-52.2-54.5-63.300111Q622 T623 V630 G656 D657 V660Q622-M632 WeakPolarHBondContact CA-O 3.39Å; T623-M632 HydrophobicContact CG2-CB 4.26Å; T623-M632 PolarHBondContact N-O 3.44Å; T623-M632 VanDerWaalsContact OG1-CB 3.24Å; T623-M632 WeakPolarHBondContact OG1-CB 3.36Å; T623-M632 VanDerWaalsContact OG1-CG 3.31Å; T623-M632 WeakPolarHBondContact OG1-CG 3.1Å; T623-M632 PolarHBondContact OG1-N 3.03Å; V630-M632 WeakPolarHBondContact CG1-O 3.33Å; M632-G656 VanDerWaalsContact SD-CA 3.58Å; M632-D657 VanDerWaalsContact CE-O 3.28Å; M632-D657 WeakPolarHBondContact CE-O 3.11Å; M632-V660 HydrophobicContact CE-CB 4.28Å; M632-V660 HydrophobicContact CE-CG1 4.21Å; M632-V660 HydrophobicContact CG-CG1 4.09Å; M632-V660 HydrophobicContact SD-CB 4.11Å; M632-V660 HydrophobicContact SD-CG1 3.71Å
633A84.6Confident82.3Confident10 Ų1055 Ų558%0.08328%0.283CS..EExtended strand (participates in β ladder)trans-146148.7161.100000109.1C621 Q622 V630 L654 K655C621-A633 CarbonylContact O-C 2.97Å; C621-A633 VanDerWaalsContact O-CA 3.25Å; C621-A633 WeakPolarHBondContact O-CA 3.49Å; Q622-A633 HydrophobicContact CG-CB 4.02Å; V630-A633 HydrophobicContact CG1-CB 4.18Å; A633-L654 HydrophobicContact CB-CB 3.88Å; A633-L654 CarbonylContact O-C 3.48Å; A633-L654 WeakPolarHBondContact O-CA 3.24Å; A633-L654 WeakPolarHBondContact O-CB 3.29Å; A633-L654 PolarHBondContact O-N 3.26Å; A633-K655 HydrophobicContact CB-CB 3.79Å; A633-K655 PolarHBondContact N-O 3.38Å; A633-K655 PolarHBondContact O-N 3Å
634F87.5Confident81.2Confident0 Ų058.9 Ų58.90%031%0.308CS..EExtended strand (participates in β ladder)trans-160.8172.3178.853.7-82.4000112.5V610 K620 C621 L636 Q652 Y661 L664 V665 I668V610-F634 HydrophobicContact CG1-CE1 4.14Å; V610-F634 HydrophobicContact CG1-CZ 3.89Å; K620-F634 CarbonylContact C-O 3.48Å; C621-F634 HydrophobicContact CB-CD1 4.01Å; C621-F634 HydrophobicContact CB-CD2 3.67Å; C621-F634 HydrophobicContact CB-CE1 3.78Å; C621-F634 HydrophobicContact CB-CE2 3.43Å; C621-F634 VanDerWaalsContact CB-CE2 3.43Å; C621-F634 HydrophobicContact CB-CG 3.95Å; C621-F634 HydrophobicContact CB-CZ 3.49Å; C621-F634 VanDerWaalsContact CB-CZ 3.49Å; C621-F634 PolarHBondContact N-O 3.11Å; C621-F634 PolarHBondContact O-N 3.27Å; F634-L636 HydrophobicContact CD2-CD2 4.15Å; F634-L636 HydrophobicContact CD2-CG 3.97Å; F634-L636 HydrophobicContact CE2-CD1 4.05Å; F634-L636 HydrophobicContact CE2-CD2 4.34Å; F634-L636 HydrophobicContact CE2-CG 3.97Å; F634-Q652 CarbonylContact C-O 3.42Å; F634-Q652 WeakPolarHBondContact CA-O 3.24Å; F634-Q652 WeakPolarHBondContact CB-O 3.18Å; F634-Y661 HydrophobicContact CB-CD2 3.97Å; F634-Y661 HydrophobicContact CB-CE2 3.4Å; F634-Y661 VanDerWaalsContact CB-CE2 3.4Å; F634-Y661 HydrophobicContact CD1-CD2 4.21Å; F634-Y661 HydrophobicContact CD1-CE2 4.24Å; F634-Y661 HydrophobicContact CD2-CE2 4.08Å; F634-Y661 HydrophobicContact CG-CD2 4.13Å; F634-Y661 AromaticContact CG-CE2 3.7Å; F634-Y661 HydrophobicContact CG-CE2 3.7Å; F634-L664 HydrophobicContact CE1-CD2 3.77Å; F634-L664 HydrophobicContact CZ-CD2 4.15Å; F634-L664 HydrophobicContact CZ-CG 4.5Å; F634-V665 HydrophobicContact CD2-CG2 4.11Å; F634-V665 HydrophobicContact CE2-CG2 3.95Å; F634-V665 HydrophobicContact CZ-CG2 4.36Å; F634-I668 HydrophobicContact CE2-CD1 4.24Å; F634-I668 HydrophobicContact CZ-CD1 3.83Å
635E87.9Confident80.6Confident30 Ų3058.2 Ų58.214%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-121.6134.9169-50.6-172.4134.500109.4T618 L619 K620 Q652 L654T618-E635 HydrophobicContact CG2-CB 4.48Å; L619-E635 CarbonylContact O-C 3.59Å; L619-E635 VanDerWaalsContact O-CA 3.23Å; L619-E635 WeakPolarHBondContact O-CA 3.35Å; K620-E635 HydrophobicContact CG-CG 4.36Å; K620-E635 IonicContact NZ-OE1 3.46Å; K620-E635 PolarHBondContact NZ-OE1 3.32Å; E635-Q652 HydrophobicContact CB-CB 4.39Å; E635-Q652 PolarHBondContact N-O 3.1Å; E635-Q652 PolarHBondContact O-N 2.77Å; E635-Q652 PolarHBondContact OE2-NE2 3.23Å; E635-L654 HydrophobicContact CG-CD1 3.58Å; E635-L654 HydrophobicContact CG-CD2 3.99Å; E635-L654 HydrophobicContact CG-CG 3.8Å
636L89.9Confident80.8Confident1 Ų157.3 Ų57.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-113.9119163.8-60.1-179.7000107.2I601 L619 F634 V649 V665 I668I601-L636 HydrophobicContact CG2-CD1 3.82Å; L619-L636 PolarHBondContact N-O 2.95Å; L619-L636 PolarHBondContact O-N 3.43Å; F634-L636 HydrophobicContact CD2-CD2 4.15Å; F634-L636 HydrophobicContact CD2-CG 3.97Å; F634-L636 HydrophobicContact CE2-CD1 4.05Å; F634-L636 HydrophobicContact CE2-CD2 4.34Å; F634-L636 HydrophobicContact CE2-CG 3.97Å; L636-V649 HydrophobicContact CB-CG1 4.09Å; L636-V649 HydrophobicContact CD2-CG1 4.17Å; L636-V665 HydrophobicContact CD2-CG1 4.22Å; L636-V665 HydrophobicContact CD2-CG2 4.49Å; L636-I668 HydrophobicContact CD1-CG2 4.47Å
637E90.1Very high81.2Confident9 Ų948.7 Ų48.74%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-114.3112.6177.6170.6172.9-143.700109.8R578 Y617 T618 C639 R650R578-E637 IonicContact CZ-OE1 3.43Å; R578-E637 IonicContact CZ-OE2 3.72Å; R578-E637 IonicContact NE-OE1 2.73Å; R578-E637 PolarHBondContact NE-OE1 2.91Å; R578-E637 IonicContact NE-OE2 2.68Å; R578-E637 VanDerWaalsContact NH2-CD 3.33Å; R578-E637 IonicContact NH2-OE1 3.23Å; R578-E637 PolarHBondContact NH2-OE1 2.66Å; R578-E637 IonicContact NH2-OE2 2.73Å; R578-E637 PolarHBondContact NH2-OE2 3.26Å; Y617-E637 WeakPolarHBondContact O-CA 3.38Å; T618-E637 HydrophobicContact CG2-CB 4.45Å; E637-C639 PolarHBondContact O-N 3.39Å; E637-R650 HydrophobicContact CB-CB 4.16Å; E637-R650 PolarHBondContact N-O 2.94Å; E637-R650 WeakPolarHBondContact O-CB 3.49Å; E637-R650 PolarHBondContact O-N 2.68Å; E637-R650 IonicContact OE2-CZ 3.67Å; E637-R650 IonicContact OE2-NH1 3.6Å; E637-R650 PolarHBondContact OE2-NH1 3.13Å
638V90.2Very high81.9Confident1 Ų144.9 Ų44.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-72.6127.1171.7-176.70000108.3P594 V597 L598 I601 Y617 V647P594-V638 HydrophobicContact CB-CG1 4.06Å; V597-V638 HydrophobicContact CB-CG1 4.37Å; V597-V638 HydrophobicContact CG1-CG1 4.19Å; V597-V638 HydrophobicContact CG1-CG2 4.07Å; L598-V638 HydrophobicContact CB-CG2 4.14Å; L598-V638 HydrophobicContact CD1-CG2 3.89Å; I601-V638 HydrophobicContact CD1-CG2 4.27Å; Y617-V638 WeakPolarHBondContact CB-O 3.35Å; Y617-V638 HydrophobicContact CD1-CB 4.22Å; Y617-V638 HydrophobicContact CD1-CG1 4.45Å; Y617-V638 PolarHBondContact O-N 3.11Å; V638-V647 HydrophobicContact CG1-CG1 3.83Å
639C88.6Confident82.5Confident0 Ų042.2 Ų42.20%021%0.208CC..EExtended strand (participates in β ladder)trans-144.2164.1-167.264.70000111.5R578 I580 E637 V647 G648R578-C639 WeakPolarHBondContact O-CB 2.82Å; I580-C639 HydrophobicContact CD1-CB 4.07Å; I580-C639 WeakPolarHBondContact CD1-SG 3.43Å; I580-C639 HydrophobicContact CG1-CB 4.18Å; E637-C639 PolarHBondContact O-N 3.39Å; C639-V647 WeakPolarHBondContact O-CA 3.22Å; C639-G648 PolarHBondContact N-O 2.7Å; C639-G648 PolarHBondContact O-N 2.75Å; C639-G648 PolarHBondContact SG-O 3.03Å
640L86.6Confident83Confident29 Ų2936.7 Ų36.715%0.15218%0.183CC..EExtended strand (participates in β ladder)trans-110127.3176-74.6167000108.9P577 R578 K579 I580 P594 V647P577-L640 HydrophobicContact CB-CD1 4.2Å; P577-L640 HydrophobicContact CB-CG 4.13Å; P577-L640 HydrophobicContact CG-CD1 4.25Å; P577-L640 HydrophobicContact CG-CG 4.44Å; R578-L640 PolarHBondContact O-N 2.92Å; K579-L640 CarbonylContact C-O 3.57Å; K579-L640 VanDerWaalsContact CA-O 3.26Å; K579-L640 WeakPolarHBondContact CA-O 3.42Å; K579-L640 HydrophobicContact CG-CB 4.13Å; K579-L640 HydrophobicContact CG-CD1 4.45Å; I580-L640 PolarHBondContact N-O 2.95Å; P594-L640 HydrophobicContact CG-CD2 4.16Å; P594-L640 HydrophobicContact CG-CG 4.43Å; L640-V647 HydrophobicContact CD2-CG2 4.01Å
641L81Confident83.4Confident8 Ų835.5 Ų35.54%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-77.3142.1174.8-72154.7000110I580 A582 V586 L588 P644 E645 V646I580-L641 HydrophobicContact CD1-CD2 4.49Å; I580-L641 HydrophobicContact CG1-CD2 4.26Å; I580-L641 CarbonylContact O-C 3.57Å; A582-L641 HydrophobicContact CB-CD2 4.33Å; V586-L641 HydrophobicContact CG1-CD1 4.29Å; V586-L641 HydrophobicContact CG1-CD2 4.4Å; L588-L641 HydrophobicContact CD2-CD1 3.22Å; L641-P644 CarbonylContact C-O 3.59Å; L641-P644 WeakPolarHBondContact CB-O 3.43Å; L641-E645 WeakPolarHBondContact O-CA 3.24Å; L641-V646 PolarHBondContact N-O 3.26Å
642Q73.5Confident83.3Confident94 Ų9436.3 Ų36.344%0.43917%0.174SC..SBendtrans-76.1-28.3-176.1-79.2177.21.700113.9K579 I580K579-Q642 HydrophobicContact CB-CG 4.27Å; K579-Q642 PolarHBondContact O-NE2 2.87Å; I580-Q642 WeakPolarHBondContact O-CG 3.38Å; I580-Q642 PolarHBondContact O-N 2.74Å
643R68.9Low83.2Confident225 Ų22536.3 Ų36.385%0.84917%0.173SC*.SBendtrans-158117.7179.9-63.9-171.1-179123.64.6110.2
644P66Low82.8Confident102 Ų10237.5 Ų37.566%0.66218%0.178SC*.SBendcis-59.5164.5-18.830.3-36.4000111.5L641 V646L641-P644 CarbonylContact C-O 3.59Å; L641-P644 WeakPolarHBondContact CB-O 3.43Å; P644-V646 HydrophobicContact CB-CG2 3.95Å; P644-V646 HydrophobicContact CG-CG2 3.75Å; P644-V646 PolarHBondContact O-N 2.78Å; P644-V646 VanDerWaalsContact O-N 3.14Å
645E72.6Confident82.1Confident117 Ų11739.4 Ų39.455%0.54719%0.186SC..  trans-8289175.7-175.4134.7-12200110.1K579 L641K579-E645 WeakPolarHBondContact CE-OE1 3.31Å; K579-E645 IonicContact NZ-OE1 2.73Å; K579-E645 PolarHBondContact NZ-OE1 2.94Å; K579-E645 IonicContact NZ-OE2 3.86Å; K579-E645 PolarHBondContact NZ-OE2 2.96Å; L641-E645 WeakPolarHBondContact O-CA 3.24Å
646V85.1Confident81.3Confident48 Ų4838 Ų3829%0.29118%0.18SC..  trans-130.6147.4-176.1-176.70000108.7L641 P644L641-V646 PolarHBondContact N-O 3.26Å; P644-V646 HydrophobicContact CB-CG2 3.95Å; P644-V646 HydrophobicContact CG-CG2 3.75Å; P644-V646 PolarHBondContact O-N 2.78Å; P644-V646 VanDerWaalsContact O-N 3.14Å
647V86.3Confident80.7Confident2 Ų241.4 Ų41.41%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-73141.9174.1-173.60000109.5T589 Q591 T592 P594 V597 V638 C639 L640T589-V647 PolarHBondContact N-O 2.96Å; T589-V647 WeakPolarHBondContact OG1-CB 3.31Å; T589-V647 PolarHBondContact OG1-O 3.17Å; T589-V647 VanDerWaalsContact OG1-O 3.11Å; Q591-V647 WeakPolarHBondContact O-CG2 3.32Å; T592-V647 WeakPolarHBondContact O-CG2 3.17Å; P594-V647 HydrophobicContact CG-CG2 3.96Å; V597-V647 HydrophobicContact CB-CG1 4.34Å; V597-V647 HydrophobicContact CG2-CG1 3.97Å; V638-V647 HydrophobicContact CG1-CG1 3.83Å; C639-V647 WeakPolarHBondContact O-CA 3.22Å; L640-V647 HydrophobicContact CD2-CG2 4.01Å
648G87.8Confident79.9Confident0 Ų041 Ų410%020%0.197CC..EExtended strand (participates in β ladder)trans-145.7154.5174.200000112.5T587 C639T587-G648 CarbonylContact O-C 3.6Å; T587-G648 WeakPolarHBondContact O-CA 3.4Å; C639-G648 PolarHBondContact N-O 2.7Å; C639-G648 PolarHBondContact O-N 2.75Å; C639-G648 PolarHBondContact SG-O 3.03Å
649V88.4Confident79.5Confident0 Ų041.7 Ų41.70%020%0.199CC..EExtended strand (participates in β ladder)trans-100.1108.1173.3-172.10000108.3V586 T587 T589 V597 I601 L636 R651 L669 I674V586-V649 WeakPolarHBondContact CA-O 3.45Å; T587-V649 PolarHBondContact N-O 3.21Å; T587-V649 PolarHBondContact O-N 2.84Å; T589-V649 HydrophobicContact CG2-CG2 3.99Å; V597-V649 HydrophobicContact CG1-CG2 3.72Å; I601-V649 HydrophobicContact CD1-CG1 4.13Å; I601-V649 HydrophobicContact CD1-CG2 3.75Å; L636-V649 HydrophobicContact CB-CG1 4.09Å; L636-V649 HydrophobicContact CD2-CG1 4.17Å; V649-R651 PolarHBondContact O-N 2.95Å; V649-L669 HydrophobicContact CB-CD2 4.15Å; V649-L669 HydrophobicContact CG1-CD2 3.96Å; V649-L669 HydrophobicContact CG2-CD2 4.12Å; V649-I674 HydrophobicContact CG2-CD1 4.05Å
650R85.6Confident79.3Confident23 Ų2345.3 Ų45.39%0.08722%0.221CC..EExtended strand (participates in β ladder)trans-77.1105.2175.7-178.3174.7169.9-80.3-25.1108.8N585 V586 E637N585-R650 WeakPolarHBondContact ND2-CG 3.37Å; N585-R650 CarbonylContact O-C 3.55Å; N585-R650 WeakPolarHBondContact O-CA 3.32Å; V586-R650 HydrophobicContact CG2-CB 4.13Å; V586-R650 HydrophobicContact CG2-CG 4.2Å; E637-R650 HydrophobicContact CB-CB 4.16Å; E637-R650 PolarHBondContact N-O 2.94Å; E637-R650 WeakPolarHBondContact O-CB 3.49Å; E637-R650 PolarHBondContact O-N 2.68Å; E637-R650 IonicContact OE2-CZ 3.67Å; E637-R650 IonicContact OE2-NH1 3.6Å; E637-R650 PolarHBondContact OE2-NH1 3.13Å
651R86.1Confident79.2Confident11 Ų1144 Ų444%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-79125.7179.3-60.8-175.6-75-176.3-5.4109.9I106 A107 D109 N585 T587 V649 V665 L669I106-R651 PolarHBondContact O-NH2 3.33Å; I106-R651 VanDerWaalsContact O-NH2 3.13Å; A107-R651 PolarHBondContact O-NH2 3.44Å; D109-R651 IonicContact OD1-CZ 2.66Å; D109-R651 VanDerWaalsContact OD1-CZ 3.27Å; D109-R651 IonicContact OD1-NH1 2.63Å; D109-R651 PolarHBondContact OD1-NH1 3.49Å; D109-R651 IonicContact OD1-NH2 3.4Å; D109-R651 PolarHBondContact OD1-NH2 2.92Å; D109-R651 IonicContact OD2-NH2 2.72Å; N585-R651 WeakPolarHBondContact CB-O 3.46Å; N585-R651 PolarHBondContact ND2-O 3.08Å; N585-R651 PolarHBondContact O-N 3.18Å; T587-R651 WeakPolarHBondContact OG1-CD 3.46Å; T587-R651 PolarHBondContact OG1-NE 3.43Å; T587-R651 VanDerWaalsContact OG1-NE 3.08Å; V649-R651 PolarHBondContact O-N 2.95Å; R651-V665 HydrophobicContact CG-CG1 3.98Å; R651-L669 HydrophobicContact CG-CD1 4.31Å
652Q80.1Confident79.3Confident44 Ų4444.2 Ų44.221%0.20622%0.215CC..EExtended strand (participates in β ladder)trans-143.5113172-166.4-168.4-79.900110.1F634 E635 Y661F634-Q652 CarbonylContact C-O 3.42Å; F634-Q652 WeakPolarHBondContact CA-O 3.24Å; F634-Q652 WeakPolarHBondContact CB-O 3.18Å; E635-Q652 HydrophobicContact CB-CB 4.39Å; E635-Q652 PolarHBondContact N-O 3.1Å; E635-Q652 PolarHBondContact O-N 2.77Å; E635-Q652 PolarHBondContact OE2-NE2 3.23Å; Q652-Y661 VanDerWaalsContact C-OH 3.32Å; Q652-Y661 PolarHBondContact N-OH 3.09Å; Q652-Y661 VanDerWaalsContact N-OH 3.15Å
653R81.1Confident79.9Confident8 Ų844.1 Ų44.13%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-55.7161169.5-167.2166.855.71200.7109.7E100 D103 I562 G656 Y661E100-R653 IonicContact OE1-NH2 2.69Å; E100-R653 PolarHBondContact OE1-NH2 3.43Å; E100-R653 IonicContact OE2-CZ 3.01Å; E100-R653 IonicContact OE2-NH1 3.55Å; E100-R653 IonicContact OE2-NH2 3.45Å; E100-R653 PolarHBondContact OE2-NH2 3.08Å; D103-R653 VanDerWaalsContact CG-NH2 3.26Å; D103-R653 IonicContact OD1-CZ 3.7Å; D103-R653 IonicContact OD1-NE 3.53Å; D103-R653 PolarHBondContact OD1-NE 2.62Å; D103-R653 IonicContact OD1-NH2 3.77Å; D103-R653 PolarHBondContact OD1-NH2 3.3Å; D103-R653 IonicContact OD2-CZ 3.72Å; D103-R653 IonicContact OD2-NH2 2.69Å; D103-R653 PolarHBondContact OD2-NH2 3.28Å; I562-R653 HydrophobicContact CD1-CB 3.53Å; I562-R653 HydrophobicContact CD1-CG 3.66Å; I562-R653 VanDerWaalsContact CD1-O 3.31Å; I562-R653 WeakPolarHBondContact CD1-O 3.31Å; I562-R653 WeakPolarHBondContact CG2-O 3.32Å; R653-G656 PolarHBondContact NH1-O 3.23Å; R653-Y661 HydrophobicContact CB-CD1 3.85Å; R653-Y661 HydrophobicContact CB-CD2 4.07Å; R653-Y661 HydrophobicContact CB-CE1 3.77Å; R653-Y661 HydrophobicContact CB-CE2 4.02Å; R653-Y661 HydrophobicContact CB-CG 3.99Å; R653-Y661 HydrophobicContact CG-CD1 4.01Å; R653-Y661 HydrophobicContact CG-CD2 3.96Å; R653-Y661 HydrophobicContact CG-CE1 4.42Å; R653-Y661 HydrophobicContact CG-CE2 4.41Å; R653-Y661 HydrophobicContact CG-CG 3.74Å; R653-Y661 PolarHBondContact N-OH 2.95Å
654L75.5Confident80.8Confident36 Ų3634.8 Ų34.819%0.18818%0.181CC..EExtended strand (participates in β ladder)trans-135.9-32.2167.9-68.9-179000112.5K560 I562 T563 A633 E635K560-L654 WeakPolarHBondContact CD-O 3.43Å; I562-L654 HydrophobicContact CG2-CD2 3.82Å; T563-L654 HydrophobicContact CG2-CD2 4.26Å; A633-L654 HydrophobicContact CB-CB 3.88Å; A633-L654 CarbonylContact O-C 3.48Å; A633-L654 WeakPolarHBondContact O-CA 3.24Å; A633-L654 WeakPolarHBondContact O-CB 3.29Å; A633-L654 PolarHBondContact O-N 3.26Å; E635-L654 HydrophobicContact CG-CD1 3.58Å; E635-L654 HydrophobicContact CG-CD2 3.99Å; E635-L654 HydrophobicContact CG-CG 3.8Å
655K71.9Confident81.8Confident40 Ų4030 Ų3017%0.17415%0.149CC..EExtended strand (participates in β ladder)trans-148.3147.4170-179.7-179.1174.6-163.90108.8D559 K560 V630 A631 A633D559-K655 WeakPolarHBondContact OD2-CE 3.39Å; D559-K655 IonicContact OD2-NZ 3.81Å; K560-K655 HydrophobicContact CD-CB 3.75Å; K560-K655 HydrophobicContact CD-CG 3.83Å; K560-K655 HydrophobicContact CG-CB 4.43Å; K560-K655 HydrophobicContact CG-CG 4.21Å; V630-K655 PolarHBondContact O-NZ 3.34Å; A631-K655 WeakPolarHBondContact O-CD 3.34Å; A631-K655 WeakPolarHBondContact O-CE 3.38Å; A631-K655 WeakPolarHBondContact O-CG 3.32Å; A631-K655 PolarHBondContact O-NZ 3.25Å; A633-K655 HydrophobicContact CB-CB 3.79Å; A633-K655 PolarHBondContact N-O 3.38Å; A633-K655 PolarHBondContact O-N 3Å
656G72.6Confident82.5Confident1 Ų127.7 Ų27.71%0.0114%0.139CC..SBendtrans126166.1151.800000112.1D559 M632 R653 A658D559-G656 WeakPolarHBondContact OD1-CA 3.31Å; D559-G656 PolarHBondContact OD1-N 3.05Å; M632-G656 VanDerWaalsContact SD-CA 3.58Å; R653-G656 PolarHBondContact NH1-O 3.23Å; G656-A658 PolarHBondContact O-N 3.01Å
657D76.1Confident82.6Confident71 Ų7128.5 Ų28.538%0.3814%0.142SC..  trans-51.2131173.6177.3-84.4000109.7D559 M632 W659 V660 Y661D559-D657 PolarHBondContact OD1-N 3.39Å; M632-D657 VanDerWaalsContact CE-O 3.28Å; M632-D657 WeakPolarHBondContact CE-O 3.11Å; D657-W659 VanDerWaalsContact C-N 3.35Å; D657-W659 PolarHBondContact O-N 3.38Å; D657-W659 WeakPolarHBondContact OD1-CA 3.25Å; D657-W659 WeakPolarHBondContact OD1-CB 3.45Å; D657-W659 PolarHBondContact OD1-N 3.49Å; D657-V660 HydrophobicContact CB-CB 4.09Å; D657-V660 HydrophobicContact CB-CG2 3.92Å; D657-V660 PolarHBondContact O-N 3.29Å; D657-V660 PolarHBondContact OD1-N 3.44Å; D657-Y661 WeakPolarHBondContact O-CB 3.47Å; D657-Y661 PolarHBondContact O-N 3.36Å
658A74.7Confident82.7Confident2 Ų228.4 Ų28.42%0.01714%0.141CC..Hα-helixtrans-76-28.5-165.600000111.7F102 G656 K662F102-A658 HydrophobicContact CB-CB 4.37Å; F102-A658 HydrophobicContact CD1-CB 3.09Å; F102-A658 HydrophobicContact CD2-CB 4.32Å; F102-A658 HydrophobicContact CE1-CB 3.26Å; F102-A658 WeakPolarHBondContact CE1-O 3.35Å; F102-A658 HydrophobicContact CE2-CB 4.46Å; F102-A658 HydrophobicContact CG-CB 3.65Å; F102-A658 HydrophobicContact CZ-CB 3.97Å; G656-A658 PolarHBondContact O-N 3.01Å; A658-K662 PolarHBondContact O-N 3.18Å
659W81.8Confident82.7Confident14 Ų1429 Ų295%0.05314%0.144CC..Hα-helixtrans-71.6-42.9171-73116.1000112F102 Y181 A208 G212 Y213 L214 D657 Y661 K662 H663F102-W659 AromaticContact CE2-CD2 3.73Å; F102-W659 HydrophobicContact CE2-CD2 3.73Å; F102-W659 AromaticContact CE2-CE2 3.36Å; F102-W659 HydrophobicContact CE2-CE3 4.14Å; F102-W659 HydrophobicContact CE2-CG 4.28Å; F102-W659 AromaticContact CE2-CH2 3.85Å; F102-W659 HydrophobicContact CE2-CH2 3.85Å; F102-W659 AromaticContact CE2-CZ2 3.48Å; F102-W659 HydrophobicContact CE2-CZ2 3.48Å; F102-W659 VanDerWaalsContact CE2-CZ2 3.48Å; F102-W659 HydrophobicContact CE2-CZ3 4.15Å; F102-W659 AromaticContact CE2-NE1 3.71Å; F102-W659 AromaticContact CZ-CD2 3.5Å; F102-W659 HydrophobicContact CZ-CD2 3.5Å; F102-W659 AromaticContact CZ-CE2 3.68Å; F102-W659 AromaticContact CZ-CE3 3.62Å; F102-W659 HydrophobicContact CZ-CE3 3.62Å; F102-W659 AromaticContact CZ-CG 3.99Å; F102-W659 HydrophobicContact CZ-CG 3.99Å; F102-W659 HydrophobicContact CZ-CH2 4.03Å; F102-W659 AromaticContact CZ-CZ2 3.99Å; F102-W659 HydrophobicContact CZ-CZ2 3.99Å; F102-W659 AromaticContact CZ-CZ3 3.84Å; F102-W659 HydrophobicContact CZ-CZ3 3.84Å; Y181-W659 PolarHBondContact OH-NE1 3.01Å; A208-W659 HydrophobicContact CB-CH2 4.22Å; A208-W659 HydrophobicContact CB-CZ2 3.85Å; G212-W659 VanDerWaalsContact O-CZ3 3.31Å; G212-W659 WeakPolarHBondContact O-CZ3 3.35Å; Y213-W659 VanDerWaalsContact CA-CH2 3.42Å; Y213-W659 VanDerWaalsContact CA-CZ3 3.49Å; L214-W659 HydrophobicContact CD1-CD2 4.21Å; L214-W659 HydrophobicContact CD1-CG 4.08Å; L214-W659 HydrophobicContact CD2-CZ2 3.9Å; L214-W659 HydrophobicContact CG-CD2 4.1Å; L214-W659 VanDerWaalsContact CG-CE2 3.48Å; L214-W659 HydrophobicContact CG-CG 4.48Å; L214-W659 HydrophobicContact CG-CZ2 3.7Å; D657-W659 VanDerWaalsContact C-N 3.35Å; D657-W659 PolarHBondContact O-N 3.38Å; D657-W659 WeakPolarHBondContact OD1-CA 3.25Å; D657-W659 WeakPolarHBondContact OD1-CB 3.45Å; D657-W659 PolarHBondContact OD1-N 3.49Å; W659-Y661 VanDerWaalsContact C-N 3.3Å; W659-Y661 PolarHBondContact O-N 3.27Å; W659-K662 HydrophobicContact CE3-CD 4.48Å; W659-K662 HydrophobicContact CZ3-CD 4.13Å; W659-K662 PolarHBondContact O-N 2.77Å; W659-H663 PolarHBondContact O-N 2.86Å; W659-H663 PolarHBondContact O-ND1 3.09Å
660V83.2Confident82.6Confident76 Ų7633.1 Ų33.146%0.46117%0.173SC..Hα-helixtrans-60.6-42173.7177.10000110.4M632 D657 L664M632-V660 HydrophobicContact CE-CB 4.28Å; M632-V660 HydrophobicContact CE-CG1 4.21Å; M632-V660 HydrophobicContact CG-CG1 4.09Å; M632-V660 HydrophobicContact SD-CB 4.11Å; M632-V660 HydrophobicContact SD-CG1 3.71Å; D657-V660 HydrophobicContact CB-CB 4.09Å; D657-V660 HydrophobicContact CB-CG2 3.92Å; D657-V660 PolarHBondContact O-N 3.29Å; D657-V660 PolarHBondContact OD1-N 3.44Å; V660-L664 WeakPolarHBondContact O-CB 3.24Å; V660-L664 PolarHBondContact O-N 3.2Å
661Y85.2Confident82.6Confident3 Ų334.5 Ų34.51%0.01218%0.184CC..Hα-helixtrans-59.9-45.7173.3171.5-106.8000112.1I106 F634 Q652 R653 D657 W659 V665I106-Y661 HydrophobicContact CD1-CD1 3.56Å; I106-Y661 HydrophobicContact CD1-CE1 3.83Å; I106-Y661 HydrophobicContact CG2-CD1 4.44Å; I106-Y661 HydrophobicContact CG2-CE1 4.06Å; F634-Y661 HydrophobicContact CB-CD2 3.97Å; F634-Y661 HydrophobicContact CB-CE2 3.4Å; F634-Y661 VanDerWaalsContact CB-CE2 3.4Å; F634-Y661 HydrophobicContact CD1-CD2 4.21Å; F634-Y661 HydrophobicContact CD1-CE2 4.24Å; F634-Y661 HydrophobicContact CD2-CE2 4.08Å; F634-Y661 HydrophobicContact CG-CD2 4.13Å; F634-Y661 AromaticContact CG-CE2 3.7Å; F634-Y661 HydrophobicContact CG-CE2 3.7Å; Q652-Y661 VanDerWaalsContact C-OH 3.32Å; Q652-Y661 PolarHBondContact N-OH 3.09Å; Q652-Y661 VanDerWaalsContact N-OH 3.15Å; R653-Y661 HydrophobicContact CB-CD1 3.85Å; R653-Y661 HydrophobicContact CB-CD2 4.07Å; R653-Y661 HydrophobicContact CB-CE1 3.77Å; R653-Y661 HydrophobicContact CB-CE2 4.02Å; R653-Y661 HydrophobicContact CB-CG 3.99Å; R653-Y661 HydrophobicContact CG-CD1 4.01Å; R653-Y661 HydrophobicContact CG-CD2 3.96Å; R653-Y661 HydrophobicContact CG-CE1 4.42Å; R653-Y661 HydrophobicContact CG-CE2 4.41Å; R653-Y661 HydrophobicContact CG-CG 3.74Å; R653-Y661 PolarHBondContact N-OH 2.95Å; D657-Y661 WeakPolarHBondContact O-CB 3.47Å; D657-Y661 PolarHBondContact O-N 3.36Å; W659-Y661 VanDerWaalsContact C-N 3.3Å; W659-Y661 PolarHBondContact O-N 3.27Å; Y661-V665 HydrophobicContact CD2-CG2 3.86Å; Y661-V665 HydrophobicContact CE2-CB 4.49Å; Y661-V665 HydrophobicContact CE2-CG2 3.38Å; Y661-V665 WeakPolarHBondContact O-CB 3.49Å; Y661-V665 WeakPolarHBondContact O-CG2 3.24Å; Y661-V665 PolarHBondContact O-N 2.65Å
662K83.6Confident82.2Confident12 Ų1234.1 Ų34.15%0.05218%0.183CC..Hα-helixtrans-61.6-54.5-179.5-173.7174.4175.2-1740111I106 D109 G212 A658 W659 L664 V665 E666I106-K662 HydrophobicContact CG1-CB 4.31Å; I106-K662 HydrophobicContact CG2-CB 4.49Å; I106-K662 HydrophobicContact CG2-CG 4.24Å; D109-K662 PolarHBondContact O-NZ 2.71Å; G212-K662 PolarHBondContact O-NZ 3.11Å; A658-K662 PolarHBondContact O-N 3.18Å; W659-K662 HydrophobicContact CE3-CD 4.48Å; W659-K662 HydrophobicContact CZ3-CD 4.13Å; W659-K662 PolarHBondContact O-N 2.77Å; K662-L664 PolarHBondContact O-N 3.44Å; K662-V665 PolarHBondContact O-N 2.87Å; K662-E666 WeakPolarHBondContact CE-OE1 3.48Å; K662-E666 VanDerWaalsContact CE-OE2 3.22Å; K662-E666 WeakPolarHBondContact CE-OE2 3.14Å; K662-E666 HydrophobicContact CG-CG 4.37Å; K662-E666 IonicContact NZ-OE1 3.79Å; K662-E666 PolarHBondContact NZ-OE1 2.92Å; K662-E666 WeakPolarHBondContact O-CB 3.29Å; K662-E666 WeakPolarHBondContact O-CG 3.5Å; K662-E666 PolarHBondContact O-N 2.96Å
663H85.8Confident81.8Confident92 Ų9236.2 Ų36.243%0.42620%0.203SC..Hα-helixtrans-59.5-45.6179.9-70.799.6000112D217 W659 V665 E666 D667D217-H663 IonicContact OD2-CE1 2.94Å; W659-H663 PolarHBondContact O-N 2.86Å; W659-H663 PolarHBondContact O-ND1 3.09Å; H663-V665 PolarHBondContact O-N 3.37Å; H663-E666 PolarHBondContact O-N 2.67Å; H663-D667 VanDerWaalsContact O-CB 3.24Å; H663-D667 WeakPolarHBondContact O-CB 3.37Å; H663-D667 PolarHBondContact O-N 2.83Å
664L87.3Confident80.8Confident28 Ų2837.5 Ų37.515%0.14721%0.21CC..Hα-helixtrans-61.2-42.4178.7178.460.2000112.2K608 V610 T623 F634 V660 K662 I668K608-L664 HydrophobicContact CB-CD1 4.4Å; V610-L664 HydrophobicContact CG2-CD1 4.11Å; V610-L664 HydrophobicContact CG2-CD2 4.31Å; T623-L664 HydrophobicContact CG2-CD2 3.96Å; F634-L664 HydrophobicContact CE1-CD2 3.77Å; F634-L664 HydrophobicContact CZ-CD2 4.15Å; F634-L664 HydrophobicContact CZ-CG 4.5Å; V660-L664 WeakPolarHBondContact O-CB 3.24Å; V660-L664 PolarHBondContact O-N 3.2Å; K662-L664 PolarHBondContact O-N 3.44Å; L664-I668 HydrophobicContact CD1-CD1 3.95Å; L664-I668 HydrophobicContact CD1-CG1 4.33Å; L664-I668 HydrophobicContact CG-CD1 3.88Å; L664-I668 WeakPolarHBondContact O-CB 3.38Å; L664-I668 VanDerWaalsContact O-CD1 3.32Å; L664-I668 WeakPolarHBondContact O-CD1 3.47Å; L664-I668 WeakPolarHBondContact O-CG1 3.38Å; L664-I668 PolarHBondContact O-N 3.47Å
665V87Confident81.1Confident1 Ų137.6 Ų37.61%0.00621%0.211CC..Hα-helixtrans-74.2-37.4178.9172.40000111.9F634 L636 R651 Y661 K662 H663 D667 I668 L669F634-V665 HydrophobicContact CD2-CG2 4.11Å; F634-V665 HydrophobicContact CE2-CG2 3.95Å; F634-V665 HydrophobicContact CZ-CG2 4.36Å; L636-V665 HydrophobicContact CD2-CG1 4.22Å; L636-V665 HydrophobicContact CD2-CG2 4.49Å; R651-V665 HydrophobicContact CG-CG1 3.98Å; Y661-V665 HydrophobicContact CD2-CG2 3.86Å; Y661-V665 HydrophobicContact CE2-CB 4.49Å; Y661-V665 HydrophobicContact CE2-CG2 3.38Å; Y661-V665 WeakPolarHBondContact O-CB 3.49Å; Y661-V665 WeakPolarHBondContact O-CG2 3.24Å; Y661-V665 PolarHBondContact O-N 2.65Å; K662-V665 PolarHBondContact O-N 2.87Å; H663-V665 PolarHBondContact O-N 3.37Å; V665-D667 VanDerWaalsContact C-N 3.35Å; V665-I668 PolarHBondContact O-N 3.13Å; V665-L669 HydrophobicContact CG1-CD1 3.62Å; V665-L669 HydrophobicContact CG1-CG 4.09Å; V665-L669 WeakPolarHBondContact O-CB 3.45Å; V665-L669 WeakPolarHBondContact O-CG 3.2Å; V665-L669 PolarHBondContact O-N 3.07Å
666E86.8Confident81.6Confident69 Ų6937.5 Ų37.532%0.32221%0.213SC..Hα-helixtrans-64.7-38.7173.6-73180150.800111.8K662 H663 S670K662-E666 WeakPolarHBondContact CE-OE1 3.48Å; K662-E666 VanDerWaalsContact CE-OE2 3.22Å; K662-E666 WeakPolarHBondContact CE-OE2 3.14Å; K662-E666 HydrophobicContact CG-CG 4.37Å; K662-E666 IonicContact NZ-OE1 3.79Å; K662-E666 PolarHBondContact NZ-OE1 2.92Å; K662-E666 WeakPolarHBondContact O-CB 3.29Å; K662-E666 WeakPolarHBondContact O-CG 3.5Å; K662-E666 PolarHBondContact O-N 2.96Å; H663-E666 PolarHBondContact O-N 2.67Å; E666-S670 VanDerWaalsContact O-CB 3.25Å; E666-S670 WeakPolarHBondContact O-CB 3.48Å; E666-S670 PolarHBondContact O-N 3.3Å; E666-S670 PolarHBondContact O-OG 3.48Å
667D87.1Confident82.1Confident66 Ų6639.5 Ų39.535%0.35322%0.224SC..Hα-helixtrans-66.5-44173.9-179.238.1000112.5K608 H663 V665 S670 T671K608-D667 VanDerWaalsContact CD-OD2 3.29Å; K608-D667 WeakPolarHBondContact CD-OD2 3.44Å; K608-D667 VanDerWaalsContact CE-OD2 3.24Å; K608-D667 WeakPolarHBondContact CE-OD2 3.28Å; K608-D667 IonicContact NZ-OD1 2.77Å; K608-D667 PolarHBondContact NZ-OD1 2.98Å; K608-D667 IonicContact NZ-OD2 2.67Å; K608-D667 PolarHBondContact NZ-OD2 3.21Å; H663-D667 VanDerWaalsContact O-CB 3.24Å; H663-D667 WeakPolarHBondContact O-CB 3.37Å; H663-D667 PolarHBondContact O-N 2.83Å; V665-D667 VanDerWaalsContact C-N 3.35Å; D667-S670 PolarHBondContact O-OG 3.05Å; D667-T671 WeakPolarHBondContact O-CB 3.43Å; D667-T671 PolarHBondContact O-N 3.39Å; D667-T671 PolarHBondContact O-OG1 3.46Å; D667-T671 PolarHBondContact OD1-OG1 2.86Å
668I89.3Confident82.4Confident0 Ų037.6 Ų37.60%022%0.215CC..Hα-helixtrans-59.4-50.2173.6-71.1159.7000110.9I601 V604 L605 K608 V610 F634 L636 L664 V665 S672I601-I668 HydrophobicContact CG2-CG2 4.29Å; V604-I668 HydrophobicContact CG1-CG2 4.3Å; L605-I668 HydrophobicContact CD2-CD1 3.87Å; K608-I668 HydrophobicContact CB-CG1 4.41Å; K608-I668 HydrophobicContact CG-CG1 4.01Å; V610-I668 HydrophobicContact CG2-CD1 4.29Å; F634-I668 HydrophobicContact CE2-CD1 4.24Å; F634-I668 HydrophobicContact CZ-CD1 3.83Å; L636-I668 HydrophobicContact CD1-CG2 4.47Å; L664-I668 HydrophobicContact CD1-CD1 3.95Å; L664-I668 HydrophobicContact CD1-CG1 4.33Å; L664-I668 HydrophobicContact CG-CD1 3.88Å; L664-I668 WeakPolarHBondContact O-CB 3.38Å; L664-I668 VanDerWaalsContact O-CD1 3.32Å; L664-I668 WeakPolarHBondContact O-CD1 3.47Å; L664-I668 WeakPolarHBondContact O-CG1 3.38Å; L664-I668 PolarHBondContact O-N 3.47Å; V665-I668 PolarHBondContact O-N 3.13Å; I668-S672 VanDerWaalsContact O-CB 3.31Å; I668-S672 WeakPolarHBondContact O-CB 3.2Å; I668-S672 PolarHBondContact O-N 3.1Å; I668-S672 PolarHBondContact O-OG 2.97Å
669L87.3Confident82.9Confident13 Ų1339.9 Ų39.97%0.06823%0.227CC..Hα-helixtrans-70.6-38.8-174.6-62.8172.1000111.7T587 I601 V649 R651 V665 S672 I674T587-L669 HydrophobicContact CG2-CD1 4.31Å; I601-L669 HydrophobicContact CD1-CD2 4.41Å; V649-L669 HydrophobicContact CB-CD2 4.15Å; V649-L669 HydrophobicContact CG1-CD2 3.96Å; V649-L669 HydrophobicContact CG2-CD2 4.12Å; R651-L669 HydrophobicContact CG-CD1 4.31Å; V665-L669 HydrophobicContact CG1-CD1 3.62Å; V665-L669 HydrophobicContact CG1-CG 4.09Å; V665-L669 WeakPolarHBondContact O-CB 3.45Å; V665-L669 WeakPolarHBondContact O-CG 3.2Å; V665-L669 PolarHBondContact O-N 3.07Å; L669-S672 PolarHBondContact O-N 2.86Å; L669-I674 HydrophobicContact CB-CD1 4.3Å; L669-I674 HydrophobicContact CD2-CD1 3.61Å; L669-I674 WeakPolarHBondContact O-CG1 3.43Å
670S85.9Confident83Confident85 Ų8541.6 Ų41.659%0.59424%0.239SC*.Hα-helixtrans-69.6-40.217657.50000112.6E666 D667 S672 S673E666-S670 VanDerWaalsContact O-CB 3.25Å; E666-S670 WeakPolarHBondContact O-CB 3.48Å; E666-S670 PolarHBondContact O-N 3.3Å; E666-S670 PolarHBondContact O-OG 3.48Å; D667-S670 PolarHBondContact O-OG 3.05Å; S670-S672 VanDerWaalsContact C-N 3.28Å; S670-S672 PolarHBondContact O-N 3.48Å; S670-S673 PolarHBondContact O-N 3.01Å
671T86.3Confident83Confident52 Ų5239.1 Ų39.132%0.31922%0.223SC..Hα-helixtrans-62.4-37.6172.2-53.70000111V604 K608 D667 S673V604-T671 HydrophobicContact CG1-CG2 3.91Å; V604-T671 HydrophobicContact CG2-CG2 3.86Å; K608-T671 WeakPolarHBondContact CE-OG1 3.36Å; K608-T671 PolarHBondContact NZ-OG1 2.8Å; D667-T671 WeakPolarHBondContact O-CB 3.43Å; D667-T671 PolarHBondContact O-N 3.39Å; D667-T671 PolarHBondContact O-OG1 3.46Å; D667-T671 PolarHBondContact OD1-OG1 2.86Å; T671-S673 PolarHBondContact O-N 3.48Å; T671-S673 VanDerWaalsContact O-N 3.11Å; T671-S673 PolarHBondContact O-OG 3.19Å
672S78.2Confident82.8Confident4 Ų441.9 Ų41.93%0.02824%0.239CC..THydrogen-bonded Turntrans-65.2-12.1-179.8-61.40000114.8Q600 I668 L669 S670Q600-S672 PolarHBondContact NE2-O 2.86Å; I668-S672 VanDerWaalsContact O-CB 3.31Å; I668-S672 WeakPolarHBondContact O-CB 3.2Å; I668-S672 PolarHBondContact O-N 3.1Å; I668-S672 PolarHBondContact O-OG 2.97Å; L669-S672 PolarHBondContact O-N 2.86Å; S670-S672 VanDerWaalsContact C-N 3.28Å; S670-S672 PolarHBondContact O-N 3.48Å
673S71.7Confident82.7Confident88 Ų8844.4 Ų44.462%0.61526%0.255SS*.THydrogen-bonded Turntrans56.849.9176.4-55.70000114Q591 S670 T671Q591-S673 PolarHBondContact NE2-O 3.45Å; S670-S673 PolarHBondContact O-N 3.01Å; T671-S673 PolarHBondContact O-N 3.48Å; T671-S673 VanDerWaalsContact O-N 3.11Å; T671-S673 PolarHBondContact O-OG 3.19Å
674I60.3Low82.5Confident35 Ų3540.1 Ų40.118%0.17924%0.239CC..  trans-116.60-173.647.4175.6000113.1T589 S590 V597 Q600 I601 V649 L669T589-I674 WeakPolarHBondContact CA-OXT 3.47Å; T589-I674 HydrophobicContact CG2-CB 3.83Å; T589-I674 HydrophobicContact CG2-CD1 4.14Å; T589-I674 HydrophobicContact CG2-CG1 4.28Å; S590-I674 VanDerWaalsContact CB-OXT 3.32Å; S590-I674 WeakPolarHBondContact CB-OXT 3.39Å; S590-I674 PolarHBondContact N-OXT 3.3Å; S590-I674 PolarHBondContact OG-OXT 3.4Å; V597-I674 HydrophobicContact CB-CG2 4.43Å; V597-I674 HydrophobicContact CG1-CD1 4.4Å; V597-I674 HydrophobicContact CG1-CG2 4.28Å; V597-I674 HydrophobicContact CG2-CG2 4.16Å; Q600-I674 HydrophobicContact CB-CG2 4.49Å; I601-I674 HydrophobicContact CD1-CD1 4.22Å; I601-I674 HydrophobicContact CG1-CD1 4.18Å; V649-I674 HydrophobicContact CG2-CD1 4.05Å; L669-I674 HydrophobicContact CB-CD1 4.3Å; L669-I674 HydrophobicContact CD2-CD1 3.61Å; L669-I674 WeakPolarHBondContact O-CG1 3.43Å

Retrieved 674 of 674 residues in 1060.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).